CID 24820485

875166-92-0

Structural Information

Molecular Formula

C₇H₆ClFO₂S

SMILES

CC1=C(C=CC=C1S(=O)(=O)Cl)F

InChI

InChI=1S/C7H6ClFO2S/c1-5-6(9)3-2-4-7(5)12(8,10)11/h2-4H,1H3

InChIKey

WKJLXHQGXSWSCK-UHFFFAOYSA-N

Compound name

3-fluoro-2-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 207.9761 Da
Monoisotopic Mass: 2.4
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]+	208.98338	139.1
[M+Na]+	230.96532	152.0
[M+NH4]+	226.00992	147.3
[M+K]+	246.93926	144.0
[M-H]-	206.96882	139.1
[M+Na-2H]-	228.95077	144.9
[M]+	207.97555	141.7
[M]-	207.97665	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe