CID 82307667

1482212-27-0

Structural Information

Molecular Formula
C12H8Cl2O2S
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C12H8Cl2O2S/c13-11-6-10(9-4-2-1-3-5-9)7-12(8-11)17(14,15)16/h1-8H
InChIKey
WETYFAXIBAGMKJ-UHFFFAOYSA-N
Compound name
3-chloro-5-phenylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.96222 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.969496 155.5
[M+Na]+ 308.951438 166.8
[M-H]- 284.954944 162.8
[M+NH4]+ 303.996043 173.4
[M+K]+ 324.925378 160.1
[M+H-H2O]+ 268.959480 150.9
[M+HCOO]- 330.960421 165.1
[M+CH3COO]- 344.976071 193.2
[M+Na-2H]- 306.936886 159.7
[M]+ 285.96167142 161.1
[M]- 285.96276858 161.1
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

No patent data available for this compound.