CID 3040682

Brn 0928266

Structural Information

Molecular Formula
C13H11ClN2O4
SMILES
C1CC(N2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C(=O)O
InChI
InChI=1S/C13H11ClN2O4/c14-7-2-1-3-8(6-7)15-11(17)9-4-5-10(12(18)19)16(9)13(15)20/h1-3,6,9-10H,4-5H2,(H,18,19)
InChIKey
IVTKQZMFTPOEAG-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.04074 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04802 161.8
[M+Na]+ 317.02996 172.5
[M+NH4]+ 312.07456 168.1
[M+K]+ 333.00390 171.6
[M-H]- 293.03346 161.9
[M+Na-2H]- 315.01541 163.9
[M]+ 294.04019 163.2
[M]- 294.04129 163.2
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

patents stripe