CID 131048112

2-chlorobenzene-1-sulfinyl chloride

Structural Information

Molecular Formula

C₆H₄Cl₂OS

SMILES

C1=CC=C(C(=C1)S(=O)Cl)Cl

InChI

InChI=1S/C6H4Cl2OS/c7-5-3-1-2-4-6(5)10(8)9/h1-4H

InChIKey

FPXJKFXNIRSFST-UHFFFAOYSA-N

Compound name

2-chlorobenzenesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.93599 Da
Monoisotopic Mass: 2.7
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]+	194.943266	129.4
[M+Na]+	216.925208	140.0
[M-H]-	192.928714	133.5
[M+NH4]+	211.969813	150.9
[M+K]+	232.899148	135.2
[M+H-H2O]+	176.933250	126.5
[M+HCOO]-	238.934191	139.5
[M+CH3COO]-	252.949841	178.1
[M+Na-2H]-	214.910656	133.0
[M]+	193.93544142	133.7
[M]-	193.93653858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe