CID 53875549

157453-54-8

Structural Information

Molecular Formula
C16H18FN
SMILES
CC=CC1CCC(CC1)C2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C16H18FN/c1-2-3-12-4-6-13(7-5-12)14-8-9-15(11-18)16(17)10-14/h2-3,8-10,12-13H,4-7H2,1H3
InChIKey
HGEBHFPUCKXFHW-UHFFFAOYSA-N
Compound name
2-fluoro-4-(4-prop-1-enylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

243.14233 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14961 155.8
[M+Na]+ 266.13155 164.5
[M-H]- 242.13505 159.7
[M+NH4]+ 261.17615 171.7
[M+K]+ 282.10549 157.6
[M+H-H2O]+ 226.13959 141.9
[M+HCOO]- 288.14053 171.4
[M+CH3COO]- 302.15618 205.7
[M+Na-2H]- 264.11700 157.1
[M]+ 243.14178 146.0
[M]- 243.14288 146.0
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