CID 67228360

Dtxsid90736644

Structural Information

Molecular Formula
C5H3BrO2
SMILES
C1=CC(=O)OC1=CBr
InChI
InChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H
InChIKey
LKFZLSZOWSMZDX-UHFFFAOYSA-N
Compound name
5-(bromomethylidene)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

173.93164 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93892 126.4
[M+Na]+ 196.92086 139.3
[M-H]- 172.92436 133.7
[M+NH4]+ 191.96546 150.8
[M+K]+ 212.89480 130.4
[M+H-H2O]+ 156.92890 127.8
[M+HCOO]- 218.92984 149.0
[M+CH3COO]- 232.94549 173.6
[M+Na-2H]- 194.90631 134.7
[M]+ 173.93109 145.0
[M]- 173.93219 145.0
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.