CID 154644444

Ethyl 4-amino-6-chloro-5-fluoronicotinate

Structural Information

Molecular Formula
C8H8ClFN2O2
SMILES
CCOC(=O)C1=CN=C(C(=C1N)F)Cl
InChI
InChI=1S/C8H8ClFN2O2/c1-2-14-8(13)4-3-12-7(9)5(10)6(4)11/h3H,2H2,1H3,(H2,11,12)
InChIKey
BYIJYBRHUZZBLR-UHFFFAOYSA-N
Compound name
ethyl 4-amino-6-chloro-5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

218.02583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03311 140.9
[M+Na]+ 241.01505 151.5
[M-H]- 217.01855 142.2
[M+NH4]+ 236.05965 159.1
[M+K]+ 256.98899 147.9
[M+H-H2O]+ 201.02309 134.6
[M+HCOO]- 263.02403 159.0
[M+CH3COO]- 277.03968 188.5
[M+Na-2H]- 239.00050 144.6
[M]+ 218.02528 142.7
[M]- 218.02638 142.7
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