CID 3067112

80843-57-8

Structural Information

Molecular Formula
C24H25FO2
SMILES
CC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C24H25FO2/c1-18-7-9-20(10-8-18)24(2,3)17-26-16-19-5-4-6-23(15-19)27-22-13-11-21(25)12-14-22/h4-15H,16-17H2,1-3H3
InChIKey
CRSNOPBMLCFEOC-UHFFFAOYSA-N
Compound name
1-fluoro-4-[3-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.18387 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19115 190.2
[M+Na]+ 387.17309 196.8
[M-H]- 363.17659 198.3
[M+NH4]+ 382.21769 202.4
[M+K]+ 403.14703 191.3
[M+H-H2O]+ 347.18113 179.6
[M+HCOO]- 409.18207 210.0
[M+CH3COO]- 423.19772 218.3
[M+Na-2H]- 385.15854 193.1
[M]+ 364.18332 192.3
[M]- 364.18442 192.3
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