CID 2781259

1-(4-fluorophenyl)cyclopropanecarbonitrile

Structural Information

Molecular Formula
C10H8FN
SMILES
C1CC1(C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H8FN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
InChIKey
MFNQFDZHIVUCOX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

161.06407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.071346 127.9
[M+Na]+ 184.053288 144.7
[M-H]- 160.056794 135.8
[M+NH4]+ 179.097893 145.9
[M+K]+ 200.027228 137.9
[M+H-H2O]+ 144.061330 118.2
[M+HCOO]- 206.062271 149.8
[M+CH3COO]- 220.077921 193.0
[M+Na-2H]- 182.038736 137.2
[M]+ 161.06352142 125.8
[M]- 161.06461858 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe