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

2
Annotation Hits: 0
References: 18
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	181.4
[M+Na]+	304.94892	181.8
[M+NH4]+	299.99352	180.7
[M+K]+	320.92286	179.3
[M-H]-	280.95242	171.7
[M+Na-2H]-	302.93437	177.5
[M]+	281.95915	178.4
[M]-	281.96025	178.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe