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

289
Patents

252.00117 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00845 150.3
[M+Na]+ 274.99039 160.6
[M-H]- 250.99389 157.9
[M+NH4]+ 270.03499 168.8
[M+K]+ 290.96433 154.9
[M+H-H2O]+ 234.99843 144.8
[M+HCOO]- 296.99937 165.0
[M+CH3COO]- 311.01502 187.6
[M+Na-2H]- 272.97584 155.8
[M]+ 252.00062 154.4
[M]- 252.00172 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