CID 3047052

Brn 0925119

Structural Information

Molecular Formula
C11H9ClN2O4
SMILES
C1=CC=C(C(=C1)N2C(=O)C(NC2=O)CC(=O)O)Cl
InChI
InChI=1S/C11H9ClN2O4/c12-6-3-1-2-4-8(6)14-10(17)7(5-9(15)16)13-11(14)18/h1-4,7H,5H2,(H,13,18)(H,15,16)
InChIKey
SDCQBIYWJKKXRR-UHFFFAOYSA-N
Compound name
2-[1-(2-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.