CID 22942566

Mechcaafcp

Structural Information

Molecular Formula
C15H16FNO2
SMILES
CC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C15H16FNO2/c1-10-2-4-11(5-3-10)15(18)19-13-7-6-12(9-17)14(16)8-13/h6-8,10-11H,2-5H2,1H3
InChIKey
NIUFWNOSDYORQN-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

261.11652 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12380 157.9
[M+Na]+ 284.10574 166.5
[M-H]- 260.10924 162.0
[M+NH4]+ 279.15034 172.9
[M+K]+ 300.07968 161.5
[M+H-H2O]+ 244.11378 143.9
[M+HCOO]- 306.11472 173.2
[M+CH3COO]- 320.13037 207.4
[M+Na-2H]- 282.09119 158.7
[M]+ 261.11597 149.8
[M]- 261.11707 149.8
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