CID 731352

7554-79-2

Structural Information

Molecular Formula

C₉H₇Cl₂NO₃

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)NCC(=O)O

InChI

InChI=1S/C9H7Cl2NO3/c10-5-1-2-6(7(11)3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)

InChIKey

NSEWCAZRGRZTHU-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorobenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 246.9803 Da
Monoisotopic Mass: 2.0
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]+	247.98758	145.9
[M+Na]+	269.96952	155.1
[M-H]-	245.97302	148.3
[M+NH4]+	265.01412	163.8
[M+K]+	285.94346	150.2
[M+H-H2O]+	229.97756	142.4
[M+HCOO]-	291.97850	159.7
[M+CH3COO]-	305.99415	189.9
[M+Na-2H]-	267.95497	149.1
[M]+	246.97975	148.9
[M]-	246.98085	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe