CID 11137701

5-(bromomethyl)dihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C1CC(=O)OC1CBr
InChI
InChI=1S/C5H7BrO2/c6-3-4-1-2-5(7)8-4/h4H,1-3H2
InChIKey
IKGVIERLNJRBCT-UHFFFAOYSA-N
Compound name
5-(bromomethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

177.96294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.970216 130.4
[M+Na]+ 200.952158 141.9
[M-H]- 176.955664 137.2
[M+NH4]+ 195.996763 154.4
[M+K]+ 216.926098 133.7
[M+H-H2O]+ 160.960200 131.6
[M+HCOO]- 222.961141 151.3
[M+CH3COO]- 236.976791 175.4
[M+Na-2H]- 198.937606 137.6
[M]+ 177.96239142 148.3
[M]- 177.96348858 148.3
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