CID 67631

Trifluoromethanesulfonyl fluoride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/CF4O2S/c2-1(3,4)8(5,6)7

InChIKey

SLVAEVYIJHDKRO-UHFFFAOYSA-N

Compound name

trifluoromethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1447
Patents: 151.95552 Da
Monoisotopic Mass: 1.4
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]+	152.96280	116.3
[M+Na]+	174.94474	126.8
[M-H]-	150.94824	112.5
[M+NH4]+	169.98934	137.7
[M+K]+	190.91868	125.6
[M+H-H2O]+	134.95278	109.4
[M+HCOO]-	196.95372	129.8
[M+CH3COO]-	210.96937	169.5
[M+Na-2H]-	172.93019	121.5
[M]+	151.95497	113.1
[M]-	151.95607	113.1

Literature stripe

literature stripe

Patent stripe

patents stripe