CID 3067146

Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-

Structural Information

Molecular Formula
C24H25BrO3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br
InChI
InChI=1S/C24H25BrO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3
InChIKey
QIIXHYUHTQYYOI-UHFFFAOYSA-N
Compound name
1-bromo-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

440.09872 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10600 202.0
[M+Na]+ 463.08794 210.5
[M-H]- 439.09144 213.2
[M+NH4]+ 458.13254 214.9
[M+K]+ 479.06188 198.9
[M+H-H2O]+ 423.09598 198.8
[M+HCOO]- 485.09692 220.4
[M+CH3COO]- 499.11257 225.0
[M+Na-2H]- 461.07339 205.9
[M]+ 440.09817 224.6
[M]- 440.09927 224.6
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