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

31
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 111.7
[M+Na]+ 186.93652 122.5
[M-H]- 162.94002 118.9
[M+NH4]+ 181.98112 128.8
[M+K]+ 202.91046 117.6
[M+H-H2O]+ 146.94456 108.5
[M+HCOO]- 208.94550 132.1
[M+CH3COO]- 222.96115 177.9
[M+Na-2H]- 184.92197 121.9
[M]+ 163.94675 138.5
[M]- 163.94785 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