CID 21309504

90525-57-8

Structural Information

Molecular Formula
C17H20FNO2
SMILES
CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C17H20FNO2/c1-2-3-12-4-6-13(7-5-12)17(20)21-15-9-8-14(11-19)16(18)10-15/h8-10,12-13H,2-7H2,1H3
InChIKey
FVNRZUYRHIAXDA-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

289.1478 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15508 165.8
[M+Na]+ 312.13702 173.7
[M-H]- 288.14052 169.5
[M+NH4]+ 307.18162 179.8
[M+K]+ 328.11096 168.2
[M+H-H2O]+ 272.14506 151.5
[M+HCOO]- 334.14600 180.6
[M+CH3COO]- 348.16165 212.8
[M+Na-2H]- 310.12247 165.6
[M]+ 289.14725 158.4
[M]- 289.14835 158.4
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