CID 12503192

2,3,4,5-tetramethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO2S
SMILES
CC1=CC(=C(C(=C1C)C)C)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO2S/c1-6-5-10(14(11,12)13)9(4)8(3)7(6)2/h5H,1-4H3
InChIKey
CTVZHDKAPTUSIU-UHFFFAOYSA-N
Compound name
2,3,4,5-tetramethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.03249 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.039766 143.2
[M+Na]+ 255.021708 155.2
[M-H]- 231.025214 148.5
[M+NH4]+ 250.066313 163.8
[M+K]+ 270.995648 150.7
[M+H-H2O]+ 215.029750 139.6
[M+HCOO]- 277.030691 156.8
[M+CH3COO]- 291.046341 189.4
[M+Na-2H]- 253.007156 145.4
[M]+ 232.03194142 150.0
[M]- 232.03303858 150.0
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