CID 129922064

4-(bromomethyl)oxolan-2-one

Structural Information

Molecular Formula
C5H7BrO2
SMILES
C1C(COC1=O)CBr
InChI
InChI=1S/C5H7BrO2/c6-2-4-1-5(7)8-3-4/h4H,1-3H2
InChIKey
CIWABXYBFHMJFP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.96294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 132.6
[M+Na]+ 200.95216 134.1
[M+NH4]+ 195.99676 137.6
[M+K]+ 216.92610 136.4
[M-H]- 176.95566 133.2
[M+Na-2H]- 198.93761 133.6
[M]+ 177.96239 131.6
[M]- 177.96349 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe