CID 55280277

4-chloro-3,5-dimethylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8Cl2O2S
SMILES
CC1=CC(=CC(=C1Cl)C)S(=O)(=O)Cl
InChI
InChI=1S/C8H8Cl2O2S/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey
BRVZJSWNJAMLJF-UHFFFAOYSA-N
Compound name
4-chloro-3,5-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96948 148.5
[M+Na]+ 260.95142 163.1
[M+NH4]+ 255.99602 157.5
[M+K]+ 276.92536 154.2
[M-H]- 236.95492 150.0
[M+Na-2H]- 258.93687 154.4
[M]+ 237.96165 152.2
[M]- 237.96275 152.2
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.