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 151.7
[M+Na]+ 283.98516 163.3
[M+NH4]+ 279.02976 158.5
[M+K]+ 299.95910 158.4
[M-H]- 259.98866 152.0
[M+Na-2H]- 281.97061 156.2
[M]+ 260.99539 153.7
[M]- 260.99649 153.7
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