CID 118833170

1805457-51-5

Structural Information

Molecular Formula
C7H5FN2
SMILES
CC1=C(C=CN=C1C#N)F
InChI
InChI=1S/C7H5FN2/c1-5-6(8)2-3-10-7(5)4-9/h2-3H,1H3
InChIKey
NKHZJVSRTBTXIQ-UHFFFAOYSA-N
Compound name
4-fluoro-3-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.04367 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.050946 121.2
[M+Na]+ 159.032888 132.8
[M-H]- 135.036394 122.4
[M+NH4]+ 154.077493 139.9
[M+K]+ 175.006828 130.3
[M+H-H2O]+ 119.040930 108.0
[M+HCOO]- 181.041871 140.5
[M+CH3COO]- 195.057521 187.1
[M+Na-2H]- 157.018336 128.3
[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

No patent data available for this compound.