CID 3067130

80843-75-0

Structural Information

Molecular Formula
C24H22F4O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C24H22F4O2/c1-23(2,18-6-4-7-19(14-18)24(26,27)28)16-29-15-17-5-3-8-22(13-17)30-21-11-9-20(25)10-12-21/h3-14H,15-16H2,1-2H3
InChIKey
YIMUJRFEQSVXKZ-UHFFFAOYSA-N
Compound name
1-fluoro-4-[3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

418.15558 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16286 200.6
[M+Na]+ 441.14480 207.8
[M-H]- 417.14830 204.7
[M+NH4]+ 436.18940 210.4
[M+K]+ 457.11874 201.5
[M+H-H2O]+ 401.15284 187.4
[M+HCOO]- 463.15378 215.4
[M+CH3COO]- 477.16943 226.1
[M+Na-2H]- 439.13025 202.3
[M]+ 418.15503 198.7
[M]- 418.15613 198.7
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