CID 103573

2-(4-fluorophenyl)propanenitrile

Structural Information

Molecular Formula
C9H8FN
SMILES
CC(C#N)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H8FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3
InChIKey
JPTHCYFZRSLQMW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

149.06407 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.071346 128.9
[M+Na]+ 172.053288 139.1
[M-H]- 148.056794 131.2
[M+NH4]+ 167.097893 148.1
[M+K]+ 188.027228 136.1
[M+H-H2O]+ 132.061330 116.3
[M+HCOO]- 194.062271 148.0
[M+CH3COO]- 208.077921 190.0
[M+Na-2H]- 170.038736 134.4
[M]+ 149.06352142 122.5
[M]- 149.06461858 122.5
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