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

68
Patents

306.02554 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03282 161.8
[M+Na]+ 329.01476 172.5
[M-H]- 305.01826 170.8
[M+NH4]+ 324.05936 180.5
[M+K]+ 344.98870 161.3
[M+H-H2O]+ 289.02280 160.6
[M+HCOO]- 351.02374 183.6
[M+CH3COO]- 365.03939 200.6
[M+Na-2H]- 327.00021 168.6
[M]+ 306.02499 183.2
[M]- 306.02609 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