CID 6435035

Brn 0793213

Structural Information

Molecular Formula
C11H7ClN2O3
SMILES
C1=CC(=CC=C1C(=O)/C=C\2/C(=O)NC(=O)N2)Cl
InChI
InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9(15)5-8-10(16)14-11(17)13-8/h1-5H,(H2,13,14,16,17)/b8-5-
InChIKey
KZVXMBDRBPBXOK-YVMONPNESA-N
Compound name
(5Z)-5-[2-(4-chlorophenyl)-2-oxoethylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01453 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02181 152.4
[M+Na]+ 273.00375 161.5
[M-H]- 249.00725 154.1
[M+NH4]+ 268.04835 168.0
[M+K]+ 288.97769 154.9
[M+H-H2O]+ 233.01179 145.8
[M+HCOO]- 295.01273 165.8
[M+CH3COO]- 309.02838 184.4
[M+Na-2H]- 270.98920 152.8
[M]+ 250.01398 149.5
[M]- 250.01508 149.5
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.