CID 2761019

3,5-bis(benzyloxy)benzyl bromide

Structural Information

Molecular Formula
C21H19BrO2
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC=CC=C3
InChI
InChI=1S/C21H19BrO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKey
WGMYJGAUAQXYFQ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

382.05685 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06413 184.7
[M+Na]+ 405.04607 193.6
[M-H]- 381.04957 195.9
[M+NH4]+ 400.09067 199.7
[M+K]+ 421.02001 181.4
[M+H-H2O]+ 365.05411 182.0
[M+HCOO]- 427.05505 205.6
[M+CH3COO]- 441.07070 213.4
[M+Na-2H]- 403.03152 190.2
[M]+ 382.05630 205.2
[M]- 382.05740 205.2
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