CID 6435388

79851-73-3

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]+ 281.032376 158.8
[M+Na]+ 303.014318 168.2
[M-H]- 279.017824 160.7
[M+NH4]+ 298.058923 173.4
[M+K]+ 318.988258 162.1
[M+H-H2O]+ 263.022360 152.3
[M+HCOO]- 325.023301 172.0
[M+CH3COO]- 339.038951 190.9
[M+Na-2H]- 300.999766 158.2
[M]+ 280.02455142 158.2
[M]- 280.02564858 158.2
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.