CID 18605132

114175-93-8

Structural Information

Molecular Formula
C20H29F
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H29F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h11-18H,2-10H2,1H3
InChIKey
KSXLYSKMTFFAND-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

288.22534 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23262 172.4
[M+Na]+ 311.21456 174.4
[M-H]- 287.21806 178.6
[M+NH4]+ 306.25916 187.4
[M+K]+ 327.18850 169.1
[M+H-H2O]+ 271.22260 162.6
[M+HCOO]- 333.22354 186.3
[M+CH3COO]- 347.23919 204.1
[M+Na-2H]- 309.20001 170.6
[M]+ 288.22479 162.2
[M]- 288.22589 162.2
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