CID 3068481

Benzene, 4-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C24H24ClFO3
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H24ClFO3/c1-24(2,18-5-7-19(25)8-6-18)16-28-15-17-4-13-22(26)23(14-17)29-21-11-9-20(27-3)10-12-21/h4-14H,15-16H2,1-3H3
InChIKey
OFSLKIJLWLXKGS-UHFFFAOYSA-N
Compound name
4-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-(4-methoxyphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

414.1398 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14708 199.8
[M+Na]+ 437.12902 207.9
[M-H]- 413.13252 208.0
[M+NH4]+ 432.17362 211.1
[M+K]+ 453.10296 201.6
[M+H-H2O]+ 397.13706 189.5
[M+HCOO]- 459.13800 215.2
[M+CH3COO]- 473.15365 225.0
[M+Na-2H]- 435.11447 201.6
[M]+ 414.13925 206.2
[M]- 414.14035 206.2
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