CID 20117642

2-[(2,3-dichlorophenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C10H9Cl2NO3
SMILES
CC(C(=O)O)NC(=O)C1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl2NO3/c1-5(10(15)16)13-9(14)6-3-2-4-7(11)8(6)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKey
DSSCFIPJBPCSNQ-UHFFFAOYSA-N
Compound name
2-[(2,3-dichlorobenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.99594 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00322 149.9
[M+Na]+ 283.98516 158.4
[M-H]- 259.98866 152.2
[M+NH4]+ 279.02976 167.2
[M+K]+ 299.95910 153.8
[M+H-H2O]+ 243.99320 146.5
[M+HCOO]- 305.99414 162.5
[M+CH3COO]- 320.00979 193.8
[M+Na-2H]- 281.97061 151.4
[M]+ 260.99539 152.7
[M]- 260.99649 152.7
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

patents stripe