CID 14178064

Schembl4803080

Structural Information

Molecular Formula
C25H39F
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C25H39F/c1-2-3-4-5-20-8-14-23(15-9-20)24-16-10-21(11-17-24)6-7-22-12-18-25(26)19-13-22/h12-13,18-21,23-24H,2-11,14-17H2,1H3
InChIKey
XKRNUBKDEPFDCX-UHFFFAOYSA-N
Compound name
1-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

358.3036 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.31088 194.7
[M+Na]+ 381.29282 194.4
[M-H]- 357.29632 199.8
[M+NH4]+ 376.33742 206.7
[M+K]+ 397.26676 187.9
[M+H-H2O]+ 341.30086 183.8
[M+HCOO]- 403.30180 206.8
[M+CH3COO]- 417.31745 218.9
[M+Na-2H]- 379.27827 190.0
[M]+ 358.30305 186.1
[M]- 358.30415 186.1
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