CID 67228360

199744-38-2

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

21
Patents

173.93164 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.938916 126.4
[M+Na]+ 196.920858 139.3
[M-H]- 172.924364 133.7
[M+NH4]+ 191.965463 150.8
[M+K]+ 212.894798 130.4
[M+H-H2O]+ 156.928900 127.8
[M+HCOO]- 218.929841 149.0
[M+CH3COO]- 232.945491 173.6
[M+Na-2H]- 194.906306 134.7
[M]+ 173.93109142 145.0
[M]- 173.93218858 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