CID 3067182

80853-80-1

Structural Information

Molecular Formula
C26H29FO2
SMILES
CC(C)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C26H29FO2/c1-19(2)21-8-10-22(11-9-21)26(3,4)18-28-17-20-6-5-7-25(16-20)29-24-14-12-23(27)13-15-24/h5-16,19H,17-18H2,1-4H3
InChIKey
AQFKMWOTWXVRCT-UHFFFAOYSA-N
Compound name
1-fluoro-4-[3-[[2-methyl-2-(4-propan-2-ylphenyl)propoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

392.21515 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.222426 198.9
[M+Na]+ 415.204368 204.2
[M-H]- 391.207874 206.5
[M+NH4]+ 410.248973 209.7
[M+K]+ 431.178308 198.8
[M+H-H2O]+ 375.212410 187.9
[M+HCOO]- 437.213351 216.9
[M+CH3COO]- 451.229001 224.9
[M+Na-2H]- 413.189816 199.5
[M]+ 392.21460142 201.0
[M]- 392.21569858 201.0
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