CID 74242

2,2,2-trifluoroethanesulfonyl chloride

Structural Information

Molecular Formula

C₂H₂ClF₃O₂S

SMILES

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

InChI

InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2

InChIKey

CXCHEKCRJQRVNG-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 7401
Patents: 181.94162 Da
Monoisotopic Mass: 1.5
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]+	182.94890	122.8
[M+Na]+	204.93084	133.5
[M-H]-	180.93434	120.3
[M+NH4]+	199.97544	144.1
[M+K]+	220.90478	130.5
[M+H-H2O]+	164.93888	117.7
[M+HCOO]-	226.93982	132.6
[M+CH3COO]-	240.95547	173.5
[M+Na-2H]-	202.91629	127.8
[M]+	181.94107	123.0
[M]-	181.94217	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe