CID 6435036

Brn 0793214

Structural Information

Molecular Formula
C11H7BrN2O3
SMILES
C1=CC(=CC=C1C(=O)/C=C\2/C(=O)NC(=O)N2)Br
InChI
InChI=1S/C11H7BrN2O3/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
SFIOZVYGJYPDPQ-YVMONPNESA-N
Compound name
(5Z)-5-[2-(4-bromophenyl)-2-oxoethylidene]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.964 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97128 155.6
[M+Na]+ 316.95322 166.8
[M-H]- 292.95672 160.1
[M+NH4]+ 311.99782 172.4
[M+K]+ 332.92716 153.6
[M+H-H2O]+ 276.96126 154.8
[M+HCOO]- 338.96220 171.5
[M+CH3COO]- 352.97785 190.6
[M+Na-2H]- 314.93867 157.8
[M]+ 293.96345 169.8
[M]- 293.96455 169.8
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

No patent data available for this compound.