CID 11309714

4-(bromomethyl)oxetan-2-one

Structural Information

Molecular Formula
C4H5BrO2
SMILES
C1C(OC1=O)CBr
InChI
InChI=1S/C4H5BrO2/c5-2-3-1-4(6)7-3/h3H,1-2H2
InChIKey
UEEVWTVEQBJECL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)oxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

163.9473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.954576 111.7
[M+Na]+ 186.936518 122.5
[M-H]- 162.940024 118.9
[M+NH4]+ 181.981123 128.8
[M+K]+ 202.910458 117.6
[M+H-H2O]+ 146.944560 108.5
[M+HCOO]- 208.945501 132.1
[M+CH3COO]- 222.961151 177.9
[M+Na-2H]- 184.921966 121.9
[M]+ 163.94675142 138.5
[M]- 163.94784858 138.5
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