CID 53416316

2-(5-fluoropyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H5FN2
SMILES
C1=CC(=NC=C1F)CC#N
InChI
InChI=1S/C7H5FN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3H2
InChIKey
KVZUOWYTUQYRMV-UHFFFAOYSA-N
Compound name
2-(5-fluoropyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

136.04367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05095 128.1
[M+Na]+ 159.03289 140.9
[M+NH4]+ 154.07749 133.0
[M+K]+ 175.00683 130.9
[M-H]- 135.03639 121.5
[M+Na-2H]- 157.01834 132.9
[M]+ 136.04312 127.2
[M]- 136.04422 127.2
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