CID 68254035

Methyl 5-cyano-3-fluoropicolinate

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
COC(=O)C1=C(C=C(C=N1)C#N)F
InChI
InChI=1S/C8H5FN2O2/c1-13-8(12)7-6(9)2-5(3-10)4-11-7/h2,4H,1H3
InChIKey
JBYQNPOGKCZBLJ-UHFFFAOYSA-N
Compound name
methyl 5-cyano-3-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

180.03351 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.040786 131.4
[M+Na]+ 203.022728 142.5
[M-H]- 179.026234 132.5
[M+NH4]+ 198.067333 148.3
[M+K]+ 218.996668 140.6
[M+H-H2O]+ 163.030770 117.7
[M+HCOO]- 225.031711 150.1
[M+CH3COO]- 239.047361 192.8
[M+Na-2H]- 201.008176 136.7
[M]+ 180.03296142 127.2
[M]- 180.03405858 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