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]+ 181.04079 131.4
[M+Na]+ 203.02273 142.5
[M-H]- 179.02623 132.5
[M+NH4]+ 198.06733 148.3
[M+K]+ 218.99667 140.6
[M+H-H2O]+ 163.03077 117.7
[M+HCOO]- 225.03171 150.1
[M+CH3COO]- 239.04736 192.8
[M+Na-2H]- 201.00818 136.7
[M]+ 180.03296 127.2
[M]- 180.03406 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