CID 83553255

1520394-17-5

Structural Information

Molecular Formula
C10H9Cl2NO3
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CC(=O)O)C(=O)N
InChI
InChI=1S/C10H9Cl2NO3/c11-5-1-2-6(8(12)3-5)7(10(13)16)4-9(14)15/h1-3,7H,4H2,(H2,13,16)(H,14,15)
InChIKey
QMGNTJQZTUVCKD-UHFFFAOYSA-N
Compound name
4-amino-3-(2,4-dichlorophenyl)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.99594 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00322 151.7
[M+Na]+ 283.98516 163.0
[M+NH4]+ 279.02976 158.4
[M+K]+ 299.95910 158.3
[M-H]- 259.98866 151.8
[M+Na-2H]- 281.97061 155.8
[M]+ 260.99539 153.6
[M]- 260.99649 153.6
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

No patent data available for this compound.