CID 655649

62848-53-7

Structural Information

Molecular Formula
C11H9ClN2O4
SMILES
C1=CC(=CC=C1N2C(=O)C(NC2=O)CC(=O)O)Cl
InChI
InChI=1S/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)
InChIKey
UDOPITICNQWATG-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

609
Patents

268.0251 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03238 154.9
[M+Na]+ 291.01432 164.3
[M-H]- 267.01782 156.9
[M+NH4]+ 286.05892 169.9
[M+K]+ 306.98826 159.0
[M+H-H2O]+ 251.02236 148.4
[M+HCOO]- 313.02330 168.3
[M+CH3COO]- 327.03895 189.3
[M+Na-2H]- 288.99977 154.8
[M]+ 268.02455 154.7
[M]- 268.02565 154.7
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

patents stripe