CID 3067152

3-(4-bromophenoxy)benzyl 2-(4-chlorophenyl)-2-ethylpropyl ether

Structural Information

Molecular Formula
C24H24BrClO2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H24BrClO2/c1-3-24(2,19-7-11-21(26)12-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-9-20(25)10-14-22/h4-15H,3,16-17H2,1-2H3
InChIKey
SJJZSGUACREAME-UHFFFAOYSA-N
Compound name
1-bromo-4-[3-[[2-(4-chlorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

458.06482 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.07210 204.5
[M+Na]+ 481.05404 214.3
[M-H]- 457.05754 215.6
[M+NH4]+ 476.09864 217.8
[M+K]+ 497.02798 200.3
[M+H-H2O]+ 441.06208 202.0
[M+HCOO]- 503.06302 218.4
[M+CH3COO]- 517.07867 226.3
[M+Na-2H]- 479.03949 208.0
[M]+ 458.06427 228.1
[M]- 458.06537 228.1
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