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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.013776	156.0
[M+Na]+	313.995718	163.3
[M-H]-	289.999224	157.0
[M+NH4]+	309.040323	171.3
[M+K]+	329.969658	158.9
[M+H-H2O]+	274.003760	152.7
[M+HCOO]-	336.004701	166.2
[M+CH3COO]-	350.020351	197.5
[M+Na-2H]-	311.981166	155.6
[M]+	291.00595142	158.3
[M]-	291.00704858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.