CID 3067118

80843-63-6

Structural Information

Molecular Formula
C24H23F3O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C24H23F3O3/c1-24(2,18-6-10-21(11-7-18)30-23(26)27)16-28-15-17-4-3-5-22(14-17)29-20-12-8-19(25)9-13-20/h3-14,23H,15-16H2,1-2H3
InChIKey
VFDJYLNAYQDNOS-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-4-[1-[[3-(4-fluorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

416.15994 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16722 200.2
[M+Na]+ 439.14916 206.4
[M-H]- 415.15266 205.4
[M+NH4]+ 434.19376 209.8
[M+K]+ 455.12310 201.1
[M+H-H2O]+ 399.15720 187.3
[M+HCOO]- 461.15814 216.9
[M+CH3COO]- 475.17379 226.4
[M+Na-2H]- 437.13461 200.6
[M]+ 416.15939 200.9
[M]- 416.16049 200.9
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