CID 549905

3bchfcp

Structural Information

Molecular Formula
C22H30FN
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C22H30FN/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(15-24)22(23)14-20/h12-14,16-19H,2-11H2,1H3
InChIKey
GMUPOLFWZIYWQO-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

327.23624 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24352 179.3
[M+Na]+ 350.22546 185.1
[M-H]- 326.22896 184.3
[M+NH4]+ 345.27006 191.6
[M+K]+ 366.19940 176.1
[M+H-H2O]+ 310.23350 163.8
[M+HCOO]- 372.23444 190.1
[M+CH3COO]- 386.25009 221.2
[M+Na-2H]- 348.21091 176.4
[M]+ 327.23569 166.1
[M]- 327.23679 166.1
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