CID 3792465

2-(4-chlorobenzenesulfonamido)-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C10H12ClNO5S
SMILES
CC(C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C10H12ClNO5S/c1-6(13)9(10(14)15)12-18(16,17)8-4-2-7(11)3-5-8/h2-6,9,12-13H,1H3,(H,14,15)
InChIKey
PQRYZRJKXCNTKT-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.01248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01976 157.0
[M+Na]+ 316.00170 163.3
[M-H]- 292.00520 158.2
[M+NH4]+ 311.04630 171.6
[M+K]+ 331.97564 159.4
[M+H-H2O]+ 276.00974 152.6
[M+HCOO]- 338.01068 166.5
[M+CH3COO]- 352.02633 194.0
[M+Na-2H]- 313.98715 158.2
[M]+ 293.01193 160.1
[M]- 293.01303 160.1
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

No patent data available for this compound.