CID 139882

4-tert-butylbenzenesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2101
Patents

232.03249 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03977 152.0
[M+Na]+ 255.02171 164.7
[M+NH4]+ 250.06631 160.4
[M+K]+ 270.99565 156.8
[M-H]- 231.02521 152.8
[M+Na-2H]- 253.00716 157.9
[M]+ 232.03194 154.9
[M]- 232.03304 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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