CID 19436357

2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C22H24F4O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C22H24F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)27-22(24,25)26/h8-16H,2-7H2,1H3
InChIKey
SWGPWOANNAYYRR-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

380.17633 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18361 191.5
[M+Na]+ 403.16555 197.2
[M-H]- 379.16905 194.9
[M+NH4]+ 398.21015 203.0
[M+K]+ 419.13949 190.6
[M+H-H2O]+ 363.17359 178.7
[M+HCOO]- 425.17453 204.2
[M+CH3COO]- 439.19018 220.0
[M+Na-2H]- 401.15100 189.6
[M]+ 380.17578 184.2
[M]- 380.17688 184.2
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