CID 59662653

2-(4-chlorobenzenesulfonyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11ClO4S
SMILES
CC(C)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClO4S/c1-10(2,9(12)13)16(14,15)8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKey
GVSUJMAIHNUEDZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfonyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

262.00665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01393 151.0
[M+Na]+ 284.99587 160.0
[M-H]- 260.99937 154.2
[M+NH4]+ 280.04047 168.5
[M+K]+ 300.96981 155.9
[M+H-H2O]+ 245.00391 147.3
[M+HCOO]- 307.00485 161.4
[M+CH3COO]- 321.02050 187.7
[M+Na-2H]- 282.98132 155.1
[M]+ 262.00610 156.0
[M]- 262.00720 156.0
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