CID 3068498

1,1'-biphenyl, 4-(2-((4-fluoro-3-phenoxyphenyl)methoxy)-1,1-dimethylethyl)-

Structural Information

Molecular Formula
C29H27FO2
SMILES
CC(C)(COCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H27FO2/c1-29(2,25-16-14-24(15-17-25)23-9-5-3-6-10-23)21-31-20-22-13-18-27(30)28(19-22)32-26-11-7-4-8-12-26/h3-19H,20-21H2,1-2H3
InChIKey
UTFHDOBHPDLHTE-UHFFFAOYSA-N
Compound name
1-fluoro-4-[[2-methyl-2-(4-phenylphenyl)propoxy]methyl]-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.1995 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20678 208.4
[M+Na]+ 449.18872 213.8
[M-H]- 425.19222 218.7
[M+NH4]+ 444.23332 217.0
[M+K]+ 465.16266 206.8
[M+H-H2O]+ 409.19676 195.6
[M+HCOO]- 471.19770 227.2
[M+CH3COO]- 485.21335 228.9
[M+Na-2H]- 447.17417 210.6
[M]+ 426.19895 209.0
[M]- 426.20005 209.0
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