CID 126970886

2-(bromomethyl)-6-phenyloxane

Structural Information

Molecular Formula
C12H15BrO
SMILES
C1CC(OC(C1)C2=CC=CC=C2)CBr
InChI
InChI=1S/C12H15BrO/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKey
SPVIOHLTPDFIEA-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-phenyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.037896 151.8
[M+Na]+ 277.019838 160.2
[M-H]- 253.023344 160.6
[M+NH4]+ 272.064443 170.9
[M+K]+ 292.993778 150.6
[M+H-H2O]+ 237.027880 151.4
[M+HCOO]- 299.028821 169.5
[M+CH3COO]- 313.044471 190.2
[M+Na-2H]- 275.005286 158.7
[M]+ 254.03007142 167.2
[M]- 254.03116858 167.2
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

No patent data available for this compound.