CID 15778113

3,5-bis(3,5-dimethoxybenzyloxy)benzyl bromide

Structural Information

Molecular Formula
C25H27BrO6
SMILES
COC1=CC(=CC(=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC(=CC(=C3)OC)OC)OC
InChI
InChI=1S/C25H27BrO6/c1-27-20-7-18(8-21(11-20)28-2)15-31-24-5-17(14-26)6-25(13-24)32-16-19-9-22(29-3)12-23(10-19)30-4/h5-13H,14-16H2,1-4H3
InChIKey
RLACLNXCSSBIKS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,5-bis[(3,5-dimethoxyphenyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

502.0991 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.10638 211.2
[M+Na]+ 525.08832 216.9
[M+NH4]+ 520.13292 214.0
[M+K]+ 541.06226 214.4
[M-H]- 501.09182 215.0
[M+Na-2H]- 523.07377 215.7
[M]+ 502.09855 212.2
[M]- 502.09965 212.2
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