CID 14985101

4bchtfmeofp

Structural Information

Molecular Formula
C23H32F4O
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C23H32F4O/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-22(21(24)15-20)28-23(25,26)27/h13-19H,2-12H2,1H3
InChIKey
LYLGBBNHKWQIEO-UHFFFAOYSA-N
Compound name
4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

400.23892 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24620 200.1
[M+Na]+ 423.22814 202.3
[M-H]- 399.23164 202.0
[M+NH4]+ 418.27274 210.5
[M+K]+ 439.20208 196.1
[M+H-H2O]+ 383.23618 187.3
[M+HCOO]- 445.23712 208.2
[M+CH3COO]- 459.25277 224.0
[M+Na-2H]- 421.21359 194.8
[M]+ 400.23837 188.8
[M]- 400.23947 188.8
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