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 156.2
[M+Na]+ 284.99587 167.0
[M+NH4]+ 280.04047 162.7
[M+K]+ 300.96981 161.3
[M-H]- 260.99937 155.0
[M+Na-2H]- 282.98132 160.3
[M]+ 262.00610 158.1
[M]- 262.00720 158.1
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