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]+ 286.96950 155.5
[M+Na]+ 308.95144 166.8
[M-H]- 284.95494 162.8
[M+NH4]+ 303.99604 173.4
[M+K]+ 324.92538 160.1
[M+H-H2O]+ 268.95948 150.9
[M+HCOO]- 330.96042 165.1
[M+CH3COO]- 344.97607 193.2
[M+Na-2H]- 306.93689 159.7
[M]+ 285.96167 161.1
[M]- 285.96277 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.