CID 43176060

2-[(2,5-dichlorophenyl)formamido]-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C11H11Cl2NO4
SMILES
CC(C(C(=O)O)NC(=O)C1=C(C=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C11H11Cl2NO4/c1-5(15)9(11(17)18)14-10(16)7-4-6(12)2-3-8(7)13/h2-5,9,15H,1H3,(H,14,16)(H,17,18)
InChIKey
ISZMSTLXGGJJCR-UHFFFAOYSA-N
Compound name
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01378 158.9
[M+Na]+ 313.99572 168.9
[M+NH4]+ 309.04032 164.5
[M+K]+ 329.96966 165.4
[M-H]- 289.99922 158.0
[M+Na-2H]- 311.98117 161.8
[M]+ 291.00595 160.2
[M]- 291.00705 160.2
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.