CID 3067139

1-(4-fluorophenoxy)-3-((2-(4-methoxyphenyl)-2-methylpropoxy)methyl)benzene

Structural Information

Molecular Formula
C24H25FO3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H25FO3/c1-24(2,19-7-11-21(26-3)12-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-9-20(25)10-14-22/h4-15H,16-17H2,1-3H3
InChIKey
RBNLRYHTOMQUJX-UHFFFAOYSA-N
Compound name
1-fluoro-4-[3-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

380.17877 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18605 193.7
[M+Na]+ 403.16799 200.1
[M-H]- 379.17149 201.7
[M+NH4]+ 398.21259 205.1
[M+K]+ 419.14193 195.3
[M+H-H2O]+ 363.17603 182.8
[M+HCOO]- 425.17697 213.7
[M+CH3COO]- 439.19262 220.3
[M+Na-2H]- 401.15344 196.6
[M]+ 380.17822 197.2
[M]- 380.17932 197.2
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