CID 19380515

Vfpbch

Structural Information

Molecular Formula
C20H27F
SMILES
C=CC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H27F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h2,11-18H,1,3-10H2
InChIKey
KTFHANHVOKLNOH-UHFFFAOYSA-N
Compound name
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

286.2097 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21698 171.2
[M+Na]+ 309.19892 173.4
[M-H]- 285.20242 177.4
[M+NH4]+ 304.24352 186.1
[M+K]+ 325.17286 167.5
[M+H-H2O]+ 269.20696 161.4
[M+HCOO]- 331.20790 185.2
[M+CH3COO]- 345.22355 203.3
[M+Na-2H]- 307.18437 169.3
[M]+ 286.20915 160.2
[M]- 286.21025 160.2
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