CID 124220319

1427417-59-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

152.03859 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04587 123.7
[M+Na]+ 175.02781 135.2
[M-H]- 151.03131 124.8
[M+NH4]+ 170.07241 141.7
[M+K]+ 191.00175 133.2
[M+H-H2O]+ 135.03585 110.2
[M+HCOO]- 197.03679 143.2
[M+CH3COO]- 211.05244 188.9
[M+Na-2H]- 173.01326 130.8
[M]+ 152.03804 119.2
[M]- 152.03914 119.2
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