CID 77671

3-(chlorosulfonyl)benzoyl chloride

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

508
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

literature stripe

Patent stripe

patents stripe