CID 15632689

4-chloro-3-(chlorosulfonyl)benzoyl chloride

Structural Information

Molecular Formula
C7H3Cl3O3S
SMILES
C1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H3Cl3O3S/c8-5-2-1-4(7(9)11)3-6(5)14(10,12)13/h1-3H
InChIKey
PNXMCBFANZCXMB-UHFFFAOYSA-N
Compound name
4-chloro-3-chlorosulfonylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

271.88684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.89412 144.5
[M+Na]+ 294.87606 155.7
[M-H]- 270.87956 148.2
[M+NH4]+ 289.92066 162.9
[M+K]+ 310.85000 150.3
[M+H-H2O]+ 254.88410 142.6
[M+HCOO]- 316.88504 148.3
[M+CH3COO]- 330.90069 190.1
[M+Na-2H]- 292.86151 146.9
[M]+ 271.88629 150.4
[M]- 271.88739 150.4
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

patents stripe