CID 101860647

Methyl 6-chloro-2-iodo-5-methylnicotinate

Structural Information

Molecular Formula

C₈H₇ClINO₂

SMILES

CC1=CC(=C(N=C1Cl)I)C(=O)OC

InChI

InChI=1S/C8H7ClINO2/c1-4-3-5(8(12)13-2)7(10)11-6(4)9/h3H,1-2H3

InChIKey

BLTHSOMWZQCTDK-UHFFFAOYSA-N

Compound name

methyl 6-chloro-2-iodo-5-methylpyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 310.921 Da
Monoisotopic Mass: 2.7
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]+	311.92828	147.2
[M+Na]+	333.91022	153.7
[M+NH4]+	328.95482	150.9
[M+K]+	349.88416	150.9
[M-H]-	309.91372	142.1
[M+Na-2H]-	331.89567	140.9
[M]+	310.92045	145.9
[M]-	310.92155	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe