CID 3018003

70259-86-8

Structural Information

Molecular Formula

C₄H₂F₈O₃S

SMILES

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

InChI

InChI=1S/C4H2F8O3S/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15/h1H,(H,13,14,15)

InChIKey

UTWCWKUZICRKOA-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 31
Patents: 281.9597 Da
Monoisotopic Mass: 2.1
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]+	282.96698	141.7
[M+Na]+	304.94892	150.4
[M-H]-	280.95242	131.1
[M+NH4]+	299.99352	156.3
[M+K]+	320.92286	147.9
[M+H-H2O]+	264.95696	131.5
[M+HCOO]-	326.95790	144.8
[M+CH3COO]-	340.97355	192.3
[M+Na-2H]-	302.93437	144.3
[M]+	281.95915	131.7
[M]-	281.96025	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe