CID 44145266

Heptadecafluoroisooctanesulphonamide

Structural Information

Molecular Formula

C₈H₂F₁₇NO₂S

SMILES

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

InChI

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

InChIKey

LIDOVKZSCIIYGP-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	160.2
[M+Na]+	521.942718	165.4
[M-H]-	497.946224	168.4
[M+NH4]+	516.987323	168.7
[M+K]+	537.916658	172.8
[M+H-H2O]+	481.950760	147.9
[M+HCOO]-	543.951701	180.2
[M+CH3COO]-	557.967351	234.1
[M+Na-2H]-	519.928166	160.0
[M]+	498.95295142	159.6
[M]-	498.95404858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.