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

537
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 139.6
[M+Na]+ 260.91505 150.4
[M-H]- 236.91855 144.0
[M+NH4]+ 255.95965 159.2
[M+K]+ 276.88899 145.5
[M+H-H2O]+ 220.92309 136.7
[M+HCOO]- 282.92403 148.8
[M+CH3COO]- 296.93968 183.5
[M+Na-2H]- 258.90050 143.6
[M]+ 237.92528 145.3
[M]- 237.92638 145.3
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