CID 54884

(4-amino-3,5-dichlorophenyl)glycolic acid

Structural Information

Molecular Formula
C8H7Cl2NO3
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)C(C(=O)O)O
InChI
InChI=1S/C8H7Cl2NO3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7,12H,11H2,(H,13,14)
InChIKey
PUYRPBRWUYJNTM-UHFFFAOYSA-N
Compound name
2-(4-amino-3,5-dichlorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

234.9803 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98758 142.5
[M+Na]+ 257.96952 152.1
[M-H]- 233.97302 143.4
[M+NH4]+ 253.01412 160.1
[M+K]+ 273.94346 147.0
[M+H-H2O]+ 217.97756 139.8
[M+HCOO]- 279.97850 154.3
[M+CH3COO]- 293.99415 186.8
[M+Na-2H]- 255.95497 143.9
[M]+ 234.97975 143.3
[M]- 234.98085 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe