CID 3068476

83492-95-9

Structural Information

Molecular Formula
C24H24F2O3
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H24F2O3/c1-24(2,18-5-9-20(27-3)10-6-18)16-28-15-17-4-13-22(26)23(14-17)29-21-11-7-19(25)8-12-21/h4-14H,15-16H2,1-3H3
InChIKey
WQCKQNCLMBGJQS-UHFFFAOYSA-N
Compound name
1-fluoro-2-(4-fluorophenoxy)-4-[[2-(4-methoxyphenyl)-2-methylpropoxy]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

398.16934 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17662 197.2
[M+Na]+ 421.15856 204.5
[M-H]- 397.16206 204.1
[M+NH4]+ 416.20316 208.0
[M+K]+ 437.13250 199.3
[M+H-H2O]+ 381.16660 185.3
[M+HCOO]- 443.16754 216.0
[M+CH3COO]- 457.18319 224.1
[M+Na-2H]- 419.14401 198.7
[M]+ 398.16879 199.9
[M]- 398.16989 199.9
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