CID 22359275

90525-59-0

Structural Information

Molecular Formula
C19H24FNO2
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C19H24FNO2/c1-2-3-4-5-14-6-8-15(9-7-14)19(22)23-17-11-10-16(13-21)18(20)12-17/h10-12,14-15H,2-9H2,1H3
InChIKey
UXWUXPHWGMBQBU-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-pentylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

317.1791 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18638 173.7
[M+Na]+ 340.16832 180.8
[M-H]- 316.17182 177.0
[M+NH4]+ 335.21292 186.6
[M+K]+ 356.14226 174.9
[M+H-H2O]+ 300.17636 159.0
[M+HCOO]- 362.17730 187.8
[M+CH3COO]- 376.19295 218.1
[M+Na-2H]- 338.15377 172.6
[M]+ 317.17855 166.8
[M]- 317.17965 166.8
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