CID 2736235

3,5-dimethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
CC1=CC(=CC(=C1)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
InChIKey
LSAGRAXLOLZVKO-UHFFFAOYSA-N
Compound name
3,5-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

204.00117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00845 140.9
[M+Na]+ 226.99039 154.8
[M+NH4]+ 222.03499 149.9
[M+K]+ 242.96433 146.4
[M-H]- 202.99389 142.5
[M+Na-2H]- 224.97584 147.2
[M]+ 204.00062 144.2
[M]- 204.00172 144.2
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

patents stripe