CID 13388012

2-(2-fluorophenyl)propanenitrile

Structural Information

Molecular Formula
C9H8FN
SMILES
CC(C#N)C1=CC=CC=C1F
InChI
InChI=1S/C9H8FN/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5,7H,1H3
InChIKey
XIKDFPBWNXGBFT-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

No literature data available for this compound.

Patent stripe

patents stripe