CID 584333

2chfcp

Structural Information

Molecular Formula
C15H18FN
SMILES
CCC1CCC(CC1)C2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C15H18FN/c1-2-11-3-5-12(6-4-11)13-7-8-14(10-17)15(16)9-13/h7-9,11-12H,2-6H2,1H3
InChIKey
MIVNZGVBYWQXDZ-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

231.14233 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14961 151.5
[M+Na]+ 254.13155 160.3
[M-H]- 230.13505 155.5
[M+NH4]+ 249.17615 167.8
[M+K]+ 270.10549 154.2
[M+H-H2O]+ 214.13959 137.7
[M+HCOO]- 276.14053 167.2
[M+CH3COO]- 290.15618 204.3
[M+Na-2H]- 252.11700 153.4
[M]+ 231.14178 142.1
[M]- 231.14288 142.1
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

No patent data available for this compound.