CID 79000

Trifluoromethanesulfonyl chloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/CClF3O2S/c2-8(6,7)1(3,4)5

InChIKey

GRGCWBWNLSTIEN-UHFFFAOYSA-N

Compound name

trifluoromethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 12199
Patents: 167.92596 Da
Monoisotopic Mass: 1.6
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]+	168.93324	118.1
[M+Na]+	190.91518	129.2
[M-H]-	166.91868	115.9
[M+NH4]+	185.95978	140.0
[M+K]+	206.88912	126.5
[M+H-H2O]+	150.92322	113.3
[M+HCOO]-	212.92416	128.3
[M+CH3COO]-	226.93981	170.5
[M+Na-2H]-	188.90063	123.7
[M]+	167.92541	118.0
[M]-	167.92651	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe