CID 6435388

Brn 5972343

Structural Information

Molecular Formula
C12H9ClN2O4
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)N2)CC(=O)O)Cl
InChI
InChI=1S/C12H9ClN2O4/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,14,19)(H,16,17)/b9-5-
InChIKey
FMCLHTJIAVFHAY-UITAMQMPSA-N
Compound name
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.03238 159.6
[M+Na]+ 303.01432 170.6
[M+NH4]+ 298.05892 164.4
[M+K]+ 318.98826 167.8
[M-H]- 279.01782 158.7
[M+Na-2H]- 300.99977 162.5
[M]+ 280.02455 160.6
[M]- 280.02565 160.6
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.