CID 10492756

1-(benzyloxy)-4-(bromomethyl)benzene

Structural Information

Molecular Formula
C14H13BrO
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CBr
InChI
InChI=1S/C14H13BrO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey
KHZAFUOYPXXJKO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

654
Patents

276.01498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02226 154.6
[M+Na]+ 299.00420 165.0
[M-H]- 275.00770 163.5
[M+NH4]+ 294.04880 174.2
[M+K]+ 314.97814 153.5
[M+H-H2O]+ 259.01224 153.9
[M+HCOO]- 321.01318 176.6
[M+CH3COO]- 335.02883 194.9
[M+Na-2H]- 296.98965 162.6
[M]+ 276.01443 174.0
[M]- 276.01553 174.0
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

patents stripe