CID 3067253

4-(4-chlorophenyl)-4-oxo-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C10H9ClO4
SMILES
C1=CC(=CC=C1C(=O)CC(C(=O)O)O)Cl
InChI
InChI=1S/C10H9ClO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
InChIKey
BUNUMHDTNKWXKR-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

228.01894 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02622 145.0
[M+Na]+ 251.00816 156.0
[M+NH4]+ 246.05276 151.4
[M+K]+ 266.98210 152.1
[M-H]- 227.01166 144.2
[M+Na-2H]- 248.99361 149.1
[M]+ 228.01839 146.3
[M]- 228.01949 146.3
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