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

4
Patents

392.21515 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22243 198.9
[M+Na]+ 415.20437 204.2
[M-H]- 391.20787 206.5
[M+NH4]+ 410.24897 209.7
[M+K]+ 431.17831 198.8
[M+H-H2O]+ 375.21241 187.9
[M+HCOO]- 437.21335 216.9
[M+CH3COO]- 451.22900 224.9
[M+Na-2H]- 413.18982 199.5
[M]+ 392.21460 201.0
[M]- 392.21570 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