CID 12247160

2-tert-butylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO2S
SMILES
CC(C)(C)C1=CC=CC=C1S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO2S/c1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h4-7H,1-3H3
InChIKey
ICXIVBYQRNOIJJ-UHFFFAOYSA-N
Compound name
2-tert-butylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

232.03249 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.039766 146.6
[M+Na]+ 255.021708 156.6
[M-H]- 231.025214 151.3
[M+NH4]+ 250.066313 166.5
[M+K]+ 270.995648 152.3
[M+H-H2O]+ 215.029750 142.7
[M+HCOO]- 277.030691 158.8
[M+CH3COO]- 291.046341 185.6
[M+Na-2H]- 253.007156 151.5
[M]+ 232.03194142 151.7
[M]- 232.03303858 151.7
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