CID 132608678

2097811-86-2

Structural Information

Molecular Formula

C₇H₄Cl₂O₃S

SMILES

C1=CC(=C(C=C1C=O)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C7H4Cl2O3S/c8-6-2-1-5(4-10)3-7(6)13(9,11)12/h1-4H

InChIKey

DBELTFXMFBRHAD-UHFFFAOYSA-N

Compound name

2-chloro-5-formylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.92583 Da
Monoisotopic Mass: 2.0
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]+	238.93311	139.9
[M+Na]+	260.91505	151.9
[M-H]-	236.91855	144.6
[M+NH4]+	255.95965	159.9
[M+K]+	276.88899	146.6
[M+H-H2O]+	220.92309	137.1
[M+HCOO]-	282.92403	150.0
[M+CH3COO]-	296.93968	183.9
[M+Na-2H]-	258.90050	144.2
[M]+	237.92528	146.5
[M]-	237.92638	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe