CID 15014927

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

Structural Information

Molecular Formula
C22H25F3O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C22H25F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h8-17H,2-7H2,1H3
InChIKey
YAGVCMSXMAEADV-UHFFFAOYSA-N
Compound name
1-(4-propylcyclohexyl)-4-[4-(trifluoromethoxy)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

362.18576 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19304 187.9
[M+Na]+ 385.17498 192.7
[M-H]- 361.17848 192.3
[M+NH4]+ 380.21958 199.9
[M+K]+ 401.14892 186.4
[M+H-H2O]+ 345.18302 175.9
[M+HCOO]- 407.18396 201.8
[M+CH3COO]- 421.19961 216.1
[M+Na-2H]- 383.16043 187.4
[M]+ 362.18521 181.3
[M]- 362.18631 181.3
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