CID 2756680

2-phenylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClO2S
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClO2S/c13-16(14,15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
RENKNADFNRIRNZ-UHFFFAOYSA-N
Compound name
2-phenylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

252.00117 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe