CID 84071593

1784425-56-4

Structural Information

Molecular Formula
C5H4BrNO4
SMILES
COC(=O)C1=C(C(=O)NO1)Br
InChI
InChI=1S/C5H4BrNO4/c1-10-5(9)3-2(6)4(8)7-11-3/h1H3,(H,7,8)
InChIKey
LEEKVTXDESSVLR-UHFFFAOYSA-N
Compound name
methyl 4-bromo-3-oxo-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.93237 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93965 133.0
[M+Na]+ 243.92159 146.5
[M-H]- 219.92509 138.2
[M+NH4]+ 238.96619 153.7
[M+K]+ 259.89553 137.7
[M+H-H2O]+ 203.92963 133.3
[M+HCOO]- 265.93057 153.6
[M+CH3COO]- 279.94622 179.2
[M+Na-2H]- 241.90704 139.8
[M]+ 220.93182 154.0
[M]- 220.93292 154.0
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.