CID 177798703

3-[(benzyloxy)methyl]-3-(bromomethyl)oxetane

Structural Information

Molecular Formula
C12H15BrO2
SMILES
C1C(CO1)(COCC2=CC=CC=C2)CBr
InChI
InChI=1S/C12H15BrO2/c13-7-12(9-15-10-12)8-14-6-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
QBDAFTKIXNWJEY-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-(phenylmethoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.032816 141.9
[M+Na]+ 293.014758 150.6
[M-H]- 269.018264 151.1
[M+NH4]+ 288.059363 156.5
[M+K]+ 308.988698 144.7
[M+H-H2O]+ 253.022800 138.0
[M+HCOO]- 315.023741 161.3
[M+CH3COO]- 329.039391 194.9
[M+Na-2H]- 291.000206 151.7
[M]+ 270.02499142 170.1
[M]- 270.02608858 170.1
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

No patent data available for this compound.