CID 12677297

78686-78-9

Structural Information

Molecular Formula

C₇H₅ClFNO₂

SMILES

COC(=O)C1=CC(=C(N=C1)Cl)F

InChI

InChI=1S/C7H5ClFNO2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,1H3

InChIKey

KDMTVIVGDHCOAH-UHFFFAOYSA-N

Compound name

methyl 6-chloro-5-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 188.99928 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.00656	132.6
[M+Na]+	211.98850	146.0
[M+NH4]+	207.03310	140.2
[M+K]+	227.96244	140.1
[M-H]-	187.99200	132.3
[M+Na-2H]-	209.97395	139.0
[M]+	188.99873	134.5
[M]-	188.99983	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe