CID 69785

Perfluorooctanesulfonamide

Structural Information

Molecular Formula

C₈H₂F₁₇NO₂S

SMILES

C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)

InChIKey

RRRXPPIDPYTNJG-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 176
References: 2245
Patents: 498.9535 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

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]+	499.960776	159.9
[M+Na]+	521.942718	165.1
[M-H]-	497.946224	167.9
[M+NH4]+	516.987323	168.3
[M+K]+	537.916658	172.5
[M+H-H2O]+	481.950760	147.5
[M+HCOO]-	543.951701	179.8
[M+CH3COO]-	557.967351	234.7
[M+Na-2H]-	519.928166	159.7
[M]+	498.95295142	159.3
[M]-	498.95404858	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe