CID 590264

4-(bromomethyl)-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C5H5BrO2
SMILES
C1C(=CC(=O)O1)CBr
InChI
InChI=1S/C5H5BrO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2
InChIKey
UGKKGXRKDWIWOD-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

175.9473 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.95458 127.8
[M+Na]+ 198.93652 140.4
[M-H]- 174.94002 135.0
[M+NH4]+ 193.98112 152.1
[M+K]+ 214.91046 132.0
[M+H-H2O]+ 158.94456 129.1
[M+HCOO]- 220.94550 150.1
[M+CH3COO]- 234.96115 175.0
[M+Na-2H]- 196.92197 136.1
[M]+ 175.94675 147.1
[M]- 175.94785 147.1
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