CID 54595921

4-(2-methylpropanoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO3S
SMILES
CC(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO3S/c1-7(2)10(12)8-3-5-9(6-4-8)15(11,13)14/h3-7H,1-2H3
InChIKey
CAXSPUMETNZQOB-UHFFFAOYSA-N
Compound name
4-(2-methylpropanoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01903 151.3
[M+Na]+ 269.00097 163.2
[M+NH4]+ 264.04557 158.9
[M+K]+ 284.97491 156.3
[M-H]- 245.00447 151.6
[M+Na-2H]- 266.98642 156.3
[M]+ 246.01120 153.8
[M]- 246.01230 153.8
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

No patent data available for this compound.