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

20
Patents

163.9473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.95458 122.0
[M+Na]+ 186.93652 121.0
[M+NH4]+ 181.98112 123.7
[M+K]+ 202.91046 123.9
[M-H]- 162.94002 120.5
[M+Na-2H]- 184.92197 122.3
[M]+ 163.94675 119.2
[M]- 163.94785 119.2
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