CID 143740

2,3,5,6-tetramethylbenzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
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

literature stripe

Patent stripe

patents stripe