CID 58201215

1240832-76-1

Structural Information

Molecular Formula

C₈H₇Cl₂NO₂

SMILES

CC1=NC=C(C(=C1Cl)Cl)C(=O)OC

InChI

InChI=1S/C8H7Cl2NO2/c1-4-6(9)7(10)5(3-11-4)8(12)13-2/h3H,1-2H3

InChIKey

XCXCPXNSOKPNBO-UHFFFAOYSA-N

Compound name

methyl 4,5-dichloro-6-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 218.98538 Da
Monoisotopic Mass: 2.4
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]+	219.992656	137.6
[M+Na]+	241.974598	149.3
[M-H]-	217.978104	140.2
[M+NH4]+	237.019203	156.8
[M+K]+	257.948538	145.2
[M+H-H2O]+	201.982640	133.3
[M+HCOO]-	263.983581	151.2
[M+CH3COO]-	277.999231	186.3
[M+Na-2H]-	239.960046	142.1
[M]+	218.98483142	143.2
[M]-	218.98592858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe