CID 590180

Pentamethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C11H15ClO2S
SMILES
CC1=C(C(=C(C(=C1C)C)S(=O)(=O)Cl)C)C
InChI
InChI=1S/C11H15ClO2S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3
InChIKey
VDBXRBKVRRJRRW-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentamethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

246.04813 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05541 154.8
[M+Na]+ 269.03735 169.1
[M+NH4]+ 264.08195 163.3
[M+K]+ 285.01129 160.5
[M-H]- 245.04085 156.4
[M+Na-2H]- 267.02280 159.7
[M]+ 246.04758 158.3
[M]- 246.04868 158.3
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