CID 3068496

Benzene, 4-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-

Structural Information

Molecular Formula
C25H27FO3
SMILES
CCOC1=CC=CC(=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C25H27FO3/c1-4-28-22-12-8-9-20(16-22)25(2,3)18-27-17-19-13-14-23(26)24(15-19)29-21-10-6-5-7-11-21/h5-16H,4,17-18H2,1-3H3
InChIKey
SVTCWTNKKLVBCG-UHFFFAOYSA-N
Compound name
4-[[2-(3-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

394.19443 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20171 198.4
[M+Na]+ 417.18365 204.2
[M-H]- 393.18715 206.1
[M+NH4]+ 412.22825 209.1
[M+K]+ 433.15759 199.2
[M+H-H2O]+ 377.19169 187.1
[M+HCOO]- 439.19263 217.9
[M+CH3COO]- 453.20828 223.2
[M+Na-2H]- 415.16910 200.6
[M]+ 394.19388 202.1
[M]- 394.19498 202.1
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