CID 85947693

2-(bromomethyl)-2-phenyloxolane

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC(OC1)(CBr)C2=CC=CC=C2
InChI
InChI=1S/C11H13BrO/c12-9-11(7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
CMNHMAXRBQZUTK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-phenyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 148.3
[M+Na]+ 263.00420 158.4
[M-H]- 239.00770 157.8
[M+NH4]+ 258.04880 171.6
[M+K]+ 278.97814 149.2
[M+H-H2O]+ 223.01224 149.2
[M+HCOO]- 285.01318 168.7
[M+CH3COO]- 299.02883 163.5
[M+Na-2H]- 260.98965 156.0
[M]+ 240.01443 165.5
[M]- 240.01553 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.