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]+ 255.03790 151.8
[M+Na]+ 277.01984 160.2
[M-H]- 253.02334 160.6
[M+NH4]+ 272.06444 170.9
[M+K]+ 292.99378 150.6
[M+H-H2O]+ 237.02788 151.4
[M+HCOO]- 299.02882 169.5
[M+CH3COO]- 313.04447 190.2
[M+Na-2H]- 275.00529 158.7
[M]+ 254.03007 167.2
[M]- 254.03117 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.