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]+ 150.07135 128.9
[M+Na]+ 172.05329 139.1
[M-H]- 148.05679 131.2
[M+NH4]+ 167.09789 148.1
[M+K]+ 188.02723 136.1
[M+H-H2O]+ 132.06133 116.3
[M+HCOO]- 194.06227 148.0
[M+CH3COO]- 208.07792 190.0
[M+Na-2H]- 170.03874 134.4
[M]+ 149.06352 122.5
[M]- 149.06462 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