Einecs 281-727-2 (C24H16F34O2)

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/C24H16F34O2/c25-7(11(31,32)17(43,44)21(51,52)23(55,56)19(47,48)13(35,36)9(27)28)15(39,40)59-5-3-1-2-4-6-60-16(41,42)8(26)12(33,34)18(45,46)22(53,54)24(57,58)20(49,50)14(37,38)10(29)30/h7-10H,1-6H2

InChIKey

HKSLIYMZKUQWGY-UHFFFAOYSA-N

Compound name

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[6-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)hexoxy]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]+	983.067976	249.6
[M+Na]+	1005.049918	251.5
[M-H]-	981.053424	261.7
[M+NH4]+	1000.094523	263.6
[M+K]+	1021.023858	268.7
[M+H-H2O]+	965.057960	238.4
[M+HCOO]-	1027.058901	257.1
[M+CH3COO]-	1041.074551	284.8
[M+Na-2H]-	1003.035366	250.1
[M]+	982.06015142	244.3
[M]-	982.06124858	244.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

983.067976

249.6

[M+Na]+

1005.049918

251.5

[M-H]-

981.053424

261.7

[M+NH4]+

1000.094523

263.6

[M+K]+

1021.023858

268.7

[M+H-H2O]+

965.057960

238.4

[M+HCOO]-

1027.058901

257.1

[M+CH3COO]-

1041.074551

284.8

[M+Na-2H]-

1003.035366

250.1

[M]+

982.06015142

244.3

[M]-

982.06124858

244.3

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

Einecs 281-727-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe