CID 3802752

3-phenylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClO2S
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey
LKSVJXWZVULUDA-UHFFFAOYSA-N
Compound name
3-phenylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

252.00117 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.008446 150.3
[M+Na]+ 274.990388 160.6
[M-H]- 250.993894 157.9
[M+NH4]+ 270.034993 168.8
[M+K]+ 290.964328 154.9
[M+H-H2O]+ 234.998430 144.8
[M+HCOO]- 296.999371 165.0
[M+CH3COO]- 311.015021 187.6
[M+Na-2H]- 272.975836 155.8
[M]+ 252.00062142 154.4
[M]- 252.00171858 154.4
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