CID 55253101

3-fluoro-6-methoxypyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H5FN2O
SMILES
COC1=NC(=C(C=C1)F)C#N
InChI
InChI=1S/C7H5FN2O/c1-11-7-3-2-5(8)6(4-9)10-7/h2-3H,1H3
InChIKey
LYIOEVXAPSSIIZ-UHFFFAOYSA-N
Compound name
3-fluoro-6-methoxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.03859 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04587 130.0
[M+Na]+ 175.02781 142.7
[M+NH4]+ 170.07241 134.4
[M+K]+ 191.00175 133.4
[M-H]- 151.03131 123.0
[M+Na-2H]- 173.01326 134.2
[M]+ 152.03804 128.9
[M]- 152.03914 128.9
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.