CID 3018648

3-bromofuran-2(5h)-one

Structural Information

Molecular Formula
C4H3BrO2
SMILES
C1C=C(C(=O)O1)Br
InChI
InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2
InChIKey
QSYHSDNIQZDYGF-UHFFFAOYSA-N
Compound name
4-bromo-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

147
Patents

161.93164 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.93892 123.0
[M+Na]+ 184.92086 136.0
[M-H]- 160.92436 130.4
[M+NH4]+ 179.96546 147.8
[M+K]+ 200.89480 127.9
[M+H-H2O]+ 144.92890 124.5
[M+HCOO]- 206.92984 145.7
[M+CH3COO]- 220.94549 172.2
[M+Na-2H]- 182.90631 131.8
[M]+ 161.93109 142.0
[M]- 161.93219 142.0
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