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

26
Patents

152.03859 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.045866 123.7
[M+Na]+ 175.027808 135.2
[M-H]- 151.031314 124.8
[M+NH4]+ 170.072413 141.7
[M+K]+ 191.001748 133.2
[M+H-H2O]+ 135.035850 110.2
[M+HCOO]- 197.036791 143.2
[M+CH3COO]- 211.052441 188.9
[M+Na-2H]- 173.013256 130.8
[M]+ 152.03804142 119.2
[M]- 152.03913858 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