CID 132391407

1,5-bis(benzyloxy)-2,4-dibromobenzene

Structural Information

Molecular Formula
C20H16Br2O2
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2Br)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C20H16Br2O2/c21-17-11-18(22)20(24-14-16-9-5-2-6-10-16)12-19(17)23-13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKey
UQAURGLQDZLUFD-UHFFFAOYSA-N
Compound name
1,5-dibromo-2,4-bis(phenylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.9517 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.958976 179.3
[M+Na]+ 468.940918 187.8
[M-H]- 444.944424 190.0
[M+NH4]+ 463.985523 193.1
[M+K]+ 484.914858 173.0
[M+H-H2O]+ 428.948960 185.9
[M+HCOO]- 490.949901 195.0
[M+CH3COO]- 504.965551 191.1
[M+Na-2H]- 466.926366 184.2
[M]+ 445.95115142 214.8
[M]- 445.95224858 214.8
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

No patent data available for this compound.