CID 82304655

3-methyl-5-phenylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H11ClO2S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H11ClO2S/c1-10-7-12(11-5-3-2-4-6-11)9-13(8-10)17(14,15)16/h2-9H,1H3
InChIKey
LAFXIRLTDZSVDI-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0168 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02408 156.7
[M+Na]+ 289.00602 172.6
[M+NH4]+ 284.05062 166.2
[M+K]+ 304.97996 162.5
[M-H]- 265.00952 161.0
[M+Na-2H]- 286.99147 166.2
[M]+ 266.01625 161.2
[M]- 266.01735 161.2
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.