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]+ 241.022256 148.3
[M+Na]+ 263.004198 158.4
[M-H]- 239.007704 157.8
[M+NH4]+ 258.048803 171.6
[M+K]+ 278.978138 149.2
[M+H-H2O]+ 223.012240 149.2
[M+HCOO]- 285.013181 168.7
[M+CH3COO]- 299.028831 163.5
[M+Na-2H]- 260.989646 156.0
[M]+ 240.01443142 165.5
[M]- 240.01552858 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.