CID 45079656

2-(6-fluoropyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC(=NC(=C1)F)CC#N
InChI
InChI=1S/C7H5FN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
InChIKey
MVFWEETVHOUHOK-UHFFFAOYSA-N
Compound name
2-(6-fluoro-2-pyridinyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.04367 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.050946 121.6
[M+Na]+ 159.032888 132.4
[M-H]- 135.036394 122.4
[M+NH4]+ 154.077493 140.0
[M+K]+ 175.006828 129.7
[M+H-H2O]+ 119.040930 108.1
[M+HCOO]- 181.041871 140.9
[M+CH3COO]- 195.057521 186.1
[M+Na-2H]- 157.018336 129.3
[M]+ 136.04312142 115.5
[M]- 136.04421858 115.5
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