CID 12020434

Schembl5166959

Structural Information

Molecular Formula
C21H25F
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=CC=C3)F
InChI
InChI=1S/C21H25F/c1-2-4-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-5-3-6-21(22)15-20/h3,5-6,11-17H,2,4,7-10H2,1H3
InChIKey
UPAHQAGIRLPLAP-UHFFFAOYSA-N
Compound name
1-fluoro-3-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

296.19403 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20131 172.4
[M+Na]+ 319.18325 177.1
[M-H]- 295.18675 179.6
[M+NH4]+ 314.22785 187.3
[M+K]+ 335.15719 171.0
[M+H-H2O]+ 279.19129 162.4
[M+HCOO]- 341.19223 190.3
[M+CH3COO]- 355.20788 182.4
[M+Na-2H]- 317.16870 173.2
[M]+ 296.19348 166.9
[M]- 296.19458 166.9
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

No patent data available for this compound.