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

5
Patents

232.03249 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03977 143.2
[M+Na]+ 255.02171 155.2
[M-H]- 231.02521 148.5
[M+NH4]+ 250.06631 163.8
[M+K]+ 270.99565 150.7
[M+H-H2O]+ 215.02975 139.6
[M+HCOO]- 277.03069 156.8
[M+CH3COO]- 291.04634 189.4
[M+Na-2H]- 253.00716 145.4
[M]+ 232.03194 150.0
[M]- 232.03304 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