CID 15176847

Tfpet3bch

Structural Information

Molecular Formula
C23H33F3
SMILES
CCCC1CCC(CC1)C2CCC(CC2)CCC3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H33F3/c1-2-3-16-6-10-19(11-7-16)20-12-8-17(9-13-20)4-5-18-14-21(24)23(26)22(25)15-18/h14-17,19-20H,2-13H2,1H3
InChIKey
AVKUSCNACSOWDA-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

366.25345 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.26073 193.2
[M+Na]+ 389.24267 195.9
[M-H]- 365.24617 196.7
[M+NH4]+ 384.28727 205.4
[M+K]+ 405.21661 188.9
[M+H-H2O]+ 349.25071 181.1
[M+HCOO]- 411.25165 203.8
[M+CH3COO]- 425.26730 220.7
[M+Na-2H]- 387.22812 186.9
[M]+ 366.25290 182.6
[M]- 366.25400 182.6
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