Einecs 266-174-7 (C22H8F34O3)

Structural Information

Molecular Formula

SMILES

C(=C/OC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)\O/C=C/OC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

InChI

InChI=1S/C22H8F34O3/c23-5(9(29,30)15(41,42)19(49,50)21(53,54)17(45,46)11(33,34)7(25)26)13(37,38)58-3-1-57-2-4-59-14(39,40)6(24)10(31,32)16(43,44)20(51,52)22(55,56)18(47,48)12(35,36)8(27)28/h1-8H/b3-1+,4-2+

InChIKey

OAHLZPDNOHHVES-ZPUQHVIOSA-N

Compound name

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[(E)-2-[(E)-2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane

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]+	967.000316	244.7
[M+Na]+	988.982258	247.2
[M-H]-	964.985764	258.3
[M+NH4]+	984.026863	259.5
[M+K]+	1004.956198	263.5
[M+H-H2O]+	948.990300	233.7
[M+HCOO]-	1010.991241	253.2
[M+CH3COO]-	1025.006891	281.2
[M+Na-2H]-	986.967706	246.0
[M]+	965.99249142	239.5
[M]-	965.99358858	239.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

967.000316

244.7

[M+Na]+

988.982258

247.2

[M-H]-

964.985764

258.3

[M+NH4]+

984.026863

259.5

[M+K]+

1004.956198

263.5

[M+H-H2O]+

948.990300

233.7

[M+HCOO]-

1010.991241

253.2

[M+CH3COO]-

1025.006891

281.2

[M+Na-2H]-

986.967706

246.0

[M]+

965.99249142

239.5

[M]-

965.99358858

239.5

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

Einecs 266-174-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe