CID 14438450

4-(trifluoromethoxy)-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C24H29F3O
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C24H29F3O/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)28-24(25,26)27/h10-19H,2-9H2,1H3
InChIKey
YTKLHRJKCPOSTB-UHFFFAOYSA-N
Compound name
1-(4-pentylcyclohexyl)-4-[4-(trifluoromethoxy)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

390.21704 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22432 197.0
[M+Na]+ 413.20626 200.9
[M-H]- 389.20976 201.0
[M+NH4]+ 408.25086 207.9
[M+K]+ 429.18020 194.2
[M+H-H2O]+ 373.21430 184.6
[M+HCOO]- 435.21524 210.2
[M+CH3COO]- 449.23089 222.0
[M+Na-2H]- 411.19171 195.5
[M]+ 390.21649 191.1
[M]- 390.21759 191.1
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