CID 11738340

2-(benzyloxy)-4-(bromomethyl)-1-methoxybenzene

Structural Information

Molecular Formula
C15H15BrO2
SMILES
COC1=C(C=C(C=C1)CBr)OCC2=CC=CC=C2
InChI
InChI=1S/C15H15BrO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKey
JLKLAWVKJNTSAB-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methoxy-2-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

306.02554 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.032816 161.8
[M+Na]+ 329.014758 172.5
[M-H]- 305.018264 170.8
[M+NH4]+ 324.059363 180.5
[M+K]+ 344.988698 161.3
[M+H-H2O]+ 289.022800 160.6
[M+HCOO]- 351.023741 183.6
[M+CH3COO]- 365.039391 200.6
[M+Na-2H]- 327.000206 168.6
[M]+ 306.02499142 183.2
[M]- 306.02608858 183.2
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

patents stripe