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]+ 446.95898 179.3
[M+Na]+ 468.94092 187.8
[M-H]- 444.94442 190.0
[M+NH4]+ 463.98552 193.1
[M+K]+ 484.91486 173.0
[M+H-H2O]+ 428.94896 185.9
[M+HCOO]- 490.94990 195.0
[M+CH3COO]- 504.96555 191.1
[M+Na-2H]- 466.92637 184.2
[M]+ 445.95115 214.8
[M]- 445.95225 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.