PubChemLite - 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[6-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)hexoxy]non-1-ene (C24H12F34O2)

Structural Information

Molecular Formula

SMILES

C(CCCOC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F)CCOC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C24H12F34O2/c25-7(11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)9(27)59-5-3-1-2-4-6-60-10(28)8(26)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-6H2

InChIKey

QHHPKLZCVQPGLS-UHFFFAOYSA-N

Compound name

1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[6-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)hexoxy]non-1-ene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	979.03668	249.5
[M+Na]+	1001.0186	252.2
[M-H]-	977.02212	262.6
[M+NH4]+	996.06322	263.9
[M+K]+	1016.9926	268.7
[M+H-H2O]+	961.02666	238.3
[M+HCOO]-	1023.0276	257.8
[M+CH3COO]-	1037.0433	282.4
[M+Na-2H]-	999.00407	250.4
[M]+	978.02885	243.9
[M]-	978.02995	243.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

979.03668

249.5

[M+Na]+

1001.0186

252.2

[M-H]-

977.02212

262.6

[M+NH4]+

996.06322

263.9

[M+K]+

1016.9926

268.7

[M+H-H2O]+

961.02666

238.3

[M+HCOO]-

1023.0276

257.8

[M+CH3COO]-

1037.0433

282.4

[M+Na-2H]-

999.00407

250.4

[M]+

978.02885

243.9

[M]-

978.02995

243.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[6-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)hexoxy]non-1-ene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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