CID 19436491

1-(4-butylcyclohexyl)-4-[4-(trifluoromethoxy)phenyl]benzene

Structural Information

Molecular Formula
C23H27F3O
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C23H27F3O/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)27-23(24,25)26/h9-18H,2-8H2,1H3
InChIKey
JQQWEIYHUXDOSN-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-4-[4-(trifluoromethoxy)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

376.2014 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20868 192.5
[M+Na]+ 399.19062 196.8
[M-H]- 375.19412 196.7
[M+NH4]+ 394.23522 203.9
[M+K]+ 415.16456 190.3
[M+H-H2O]+ 359.19866 180.3
[M+HCOO]- 421.19960 206.0
[M+CH3COO]- 435.21525 219.0
[M+Na-2H]- 397.17607 191.5
[M]+ 376.20085 186.2
[M]- 376.20195 186.2
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