CID 2794758

4'-methyl-[1,1'-biphenyl]-4-sulphonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
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 154.2
[M+Na]+ 289.00602 164.9
[M-H]- 265.00952 161.9
[M+NH4]+ 284.05062 172.5
[M+K]+ 304.97996 159.0
[M+H-H2O]+ 249.01406 148.6
[M+HCOO]- 311.01500 168.5
[M+CH3COO]- 325.03065 191.7
[M+Na-2H]- 286.99147 158.6
[M]+ 266.01625 159.0
[M]- 266.01735 159.0
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