CID 590196

106021-42-5

Structural Information

Molecular Formula
C16H20FN
SMILES
CCCC1CCC(CC1)C2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C16H20FN/c1-2-3-12-4-6-13(7-5-12)14-8-9-15(11-18)16(17)10-14/h8-10,12-13H,2-7H2,1H3
InChIKey
MEIZMSPIBFTTTE-UHFFFAOYSA-N
Compound name
2-fluoro-4-(4-propylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

245.15797 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16525 155.4
[M+Na]+ 268.14719 163.9
[M-H]- 244.15069 159.3
[M+NH4]+ 263.19179 171.3
[M+K]+ 284.12113 157.6
[M+H-H2O]+ 228.15523 141.5
[M+HCOO]- 290.15617 170.9
[M+CH3COO]- 304.17182 207.0
[M+Na-2H]- 266.13264 156.9
[M]+ 245.15742 146.4
[M]- 245.15852 146.4
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