CID 22152198

3-benzoylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H9ClO3S
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H9ClO3S/c14-18(16,17)12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey
HUQKJUIDRNDNQY-UHFFFAOYSA-N
Compound name
3-benzoylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

279.9961 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00338 156.7
[M+Na]+ 302.98532 166.3
[M-H]- 278.98882 164.2
[M+NH4]+ 298.02992 173.8
[M+K]+ 318.95926 160.9
[M+H-H2O]+ 262.99336 151.0
[M+HCOO]- 324.99430 170.5
[M+CH3COO]- 339.00995 192.6
[M+Na-2H]- 300.97077 161.0
[M]+ 279.99555 161.3
[M]- 279.99665 161.3
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