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

2
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 130.4
[M+Na]+ 200.95216 141.9
[M-H]- 176.95566 137.2
[M+NH4]+ 195.99676 154.4
[M+K]+ 216.92610 133.7
[M+H-H2O]+ 160.96020 131.6
[M+HCOO]- 222.96114 151.3
[M+CH3COO]- 236.97679 175.4
[M+Na-2H]- 198.93761 137.6
[M]+ 177.96239 148.3
[M]- 177.96349 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

No literature data available for this compound.

Patent stripe

patents stripe