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 156.0
[M+Na]+ 313.99572 163.3
[M-H]- 289.99922 157.0
[M+NH4]+ 309.04032 171.3
[M+K]+ 329.96966 158.9
[M+H-H2O]+ 274.00376 152.7
[M+HCOO]- 336.00470 166.2
[M+CH3COO]- 350.02035 197.5
[M+Na-2H]- 311.98117 155.6
[M]+ 291.00595 158.3
[M]- 291.00705 158.3
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

No patent data available for this compound.