CID 578934

82832-27-7

Structural Information

Molecular Formula
C21H31F
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H31F/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h12-19H,2-11H2,1H3
InChIKey
IKODGORUTZMKPL-UHFFFAOYSA-N
Compound name
1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

302.24097 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24825 176.9
[M+Na]+ 325.23019 178.4
[M-H]- 301.23369 182.9
[M+NH4]+ 320.27479 191.3
[M+K]+ 341.20413 172.9
[M+H-H2O]+ 285.23823 166.9
[M+HCOO]- 347.23917 190.4
[M+CH3COO]- 361.25482 207.0
[M+Na-2H]- 323.21564 174.5
[M]+ 302.24042 167.0
[M]- 302.24152 167.0
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