CID 137321933

2-amino-5-(1-bromo-2-oxo-2-phenylethylidene)-4(5h)-oxazolone

Structural Information

Molecular Formula
C11H7BrN2O3
SMILES
C1=CC=C(C=C1)C(=O)/C(=C/2\C(=O)NC(=N)O2)/Br
InChI
InChI=1S/C11H7BrN2O3/c12-7(9-10(16)14-11(13)17-9)8(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,16)/b9-7-
InChIKey
ZGTKJRBMHAQHQX-CLFYSBASSA-N
Compound name
(5Z)-5-(1-bromo-2-oxo-2-phenylethylidene)-2-imino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97128 157.6
[M+Na]+ 316.95322 167.1
[M-H]- 292.95672 164.7
[M+NH4]+ 311.99782 174.2
[M+K]+ 332.92716 155.8
[M+H-H2O]+ 276.96126 156.3
[M+HCOO]- 338.96220 175.1
[M+CH3COO]- 352.97785 194.8
[M+Na-2H]- 314.93867 160.6
[M]+ 293.96345 171.8
[M]- 293.96455 171.8
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.