CID 82024

7516-60-1

Structural Information

Molecular Formula
C7H4Cl2O3S
SMILES
C1=CC(=CC=C1C(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H4Cl2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H
InChIKey
JYJUMAFOXPQPAU-UHFFFAOYSA-N
Compound name
4-chlorosulfonylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

237.92583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.93311 145.8
[M+Na]+ 260.91505 159.0
[M+NH4]+ 255.95965 153.9
[M+K]+ 276.88899 151.3
[M-H]- 236.91855 146.2
[M+Na-2H]- 258.90050 151.6
[M]+ 237.92528 148.8
[M]- 237.92638 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.