CID 54689372

Chembl246474

Structural Information

Molecular Formula
C11H10ClNO4
SMILES
C1=CC(=CC(=C1)Cl)CNC(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C11H10ClNO4/c12-8-3-1-2-7(4-8)6-13-10(15)5-9(14)11(16)17/h1-5,14H,6H2,(H,13,15)(H,16,17)/b9-5-
InChIKey
WVWSYRPVPJNHBY-UITAMQMPSA-N
Compound name
(Z)-4-[(3-chlorophenyl)methylamino]-2-hydroxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.02983 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03711 152.4
[M+Na]+ 278.01905 158.9
[M-H]- 254.02255 153.4
[M+NH4]+ 273.06365 168.3
[M+K]+ 293.99299 154.7
[M+H-H2O]+ 238.02709 147.5
[M+HCOO]- 300.02803 168.4
[M+CH3COO]- 314.04368 189.3
[M+Na-2H]- 276.00450 154.1
[M]+ 255.02928 152.7
[M]- 255.03038 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

literature stripe

Patent stripe

No patent data available for this compound.