CID 3067255

4-(2,4-dichlorophenyl)-4-oxo-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C10H8Cl2O4
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)CC(C(=O)O)O
InChI
InChI=1S/C10H8Cl2O4/c11-5-1-2-6(7(12)3-5)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
InChIKey
OROLZPSONMCIED-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-2-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.97995 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98723 146.4
[M+Na]+ 284.96917 155.2
[M-H]- 260.97267 147.5
[M+NH4]+ 280.01377 163.2
[M+K]+ 300.94311 150.4
[M+H-H2O]+ 244.97721 143.5
[M+HCOO]- 306.97815 156.7
[M+CH3COO]- 320.99380 189.2
[M+Na-2H]- 282.95462 147.5
[M]+ 261.97940 149.6
[M]- 261.98050 149.6
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.