CID 3068491

Ethanone, 1-(4-(1,1-dimethyl-2-((4-fluoro-3-phenoxyphenyl)methoxy)ethyl)phenyl)-

Structural Information

Molecular Formula
C25H25FO3
SMILES
CC(=O)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C25H25FO3/c1-18(27)20-10-12-21(13-11-20)25(2,3)17-28-16-19-9-14-23(26)24(15-19)29-22-7-5-4-6-8-22/h4-15H,16-17H2,1-3H3
InChIKey
RGCKYCRWVGPTJA-UHFFFAOYSA-N
Compound name
1-[4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

392.17877 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18605 196.5
[M+Na]+ 415.16799 202.4
[M-H]- 391.17149 204.4
[M+NH4]+ 410.21259 207.2
[M+K]+ 431.14193 197.4
[M+H-H2O]+ 375.17603 185.6
[M+HCOO]- 437.17697 215.3
[M+CH3COO]- 451.19262 223.3
[M+Na-2H]- 413.15344 197.8
[M]+ 392.17822 199.0
[M]- 392.17932 199.0
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