CID 11658367

5-(bromomethylene)-2(5h)-furanone

Structural Information

Molecular Formula
C5H3BrO2
SMILES
C\1=CC(=O)O/C1=C/Br
InChI
InChI=1S/C5H3BrO2/c6-3-4-1-2-5(7)8-4/h1-3H/b4-3+
InChIKey
LKFZLSZOWSMZDX-ONEGZZNKSA-N
Compound name
(5E)-5-(bromomethylidene)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
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

literature stripe

Patent stripe

patents stripe