CID 3067209

3-phenoxybenzyl 2-(4-bromophenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C23H23BrO2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H23BrO2/c1-23(2,19-11-13-20(24)14-12-19)17-25-16-18-7-6-10-22(15-18)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3
InChIKey
VWOLHSQLGKUCRC-UHFFFAOYSA-N
Compound name
1-bromo-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

410.08813 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09541 194.8
[M+Na]+ 433.07735 203.2
[M-H]- 409.08085 205.9
[M+NH4]+ 428.12195 208.7
[M+K]+ 449.05129 191.0
[M+H-H2O]+ 393.08539 192.1
[M+HCOO]- 455.08633 213.4
[M+CH3COO]- 469.10198 219.3
[M+Na-2H]- 431.06280 199.9
[M]+ 410.08758 215.4
[M]- 410.08868 215.4
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