CID 162612861

3bchtfmefb

Structural Information

Molecular Formula
C28H34F4
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C(F)(F)F)F
InChI
InChI=1S/C28H34F4/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27(29)18-25)28(30,31)32/h12-22H,2-11H2,1H3
InChIKey
KWNREBLHLWYEOB-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.25967 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.26695 213.7
[M+Na]+ 469.24889 216.0
[M-H]- 445.25239 218.4
[M+NH4]+ 464.29349 221.8
[M+K]+ 485.22283 207.4
[M+H-H2O]+ 429.25693 199.0
[M+HCOO]- 491.25787 220.9
[M+CH3COO]- 505.27352 233.7
[M+Na-2H]- 467.23434 207.0
[M]+ 446.25912 200.4
[M]- 446.26022 200.4
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

No patent data available for this compound.