CID 130896735

1807167-61-8

Structural Information

Molecular Formula

C₇H₅Cl₂FO₂S

SMILES

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

InChI

InChI=1S/C7H5Cl2FO2S/c1-4-2-5(8)3-6(10)7(4)13(9,11)12/h2-3H,1H3

InChIKey

LEHKADGPJZOXLP-UHFFFAOYSA-N

Compound name

4-chloro-2-fluoro-6-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.93713 Da
Monoisotopic Mass: 3.0
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]+	242.944406	138.3
[M+Na]+	264.926348	150.9
[M-H]-	240.929854	141.8
[M+NH4]+	259.970953	158.5
[M+K]+	280.900288	145.3
[M+H-H2O]+	224.934390	134.8
[M+HCOO]-	286.935331	146.9
[M+CH3COO]-	300.950981	186.5
[M+Na-2H]-	262.911796	141.4
[M]+	241.93658142	143.5
[M]-	241.93767858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe