CID 119007043

169037-29-0

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O₂

SMILES

COC(=O)C1=NC(=C(C=C1N)Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O2/c1-13-7(12)5-4(10)2-3(8)6(9)11-5/h2H,10H2,1H3

InChIKey

UGYRJRZDROMNLC-UHFFFAOYSA-N

Compound name

methyl 3-amino-5,6-dichloropyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 219.98064 Da
Monoisotopic Mass: 2.5
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]+	220.98792	139.6
[M+Na]+	242.96986	150.8
[M-H]-	218.97336	141.7
[M+NH4]+	238.01446	158.0
[M+K]+	258.94380	146.5
[M+H-H2O]+	202.97790	135.1
[M+HCOO]-	264.97884	153.9
[M+CH3COO]-	278.99449	187.5
[M+Na-2H]-	240.95531	143.6
[M]+	219.98009	143.0
[M]-	219.98119	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe