CID 10543554

2,6-dichloro-4-iodopyridine-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₂Cl₂INO₂

SMILES

C1=C(C(=C(N=C1Cl)Cl)C(=O)O)I

InChI

InChI=1S/C6H2Cl2INO2/c7-3-1-2(9)4(6(11)12)5(8)10-3/h1H,(H,11,12)

InChIKey

TWRQBQHKGJYKAO-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-iodopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 316.85074 Da
Monoisotopic Mass: 3.0
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]+	317.85802	137.5
[M+Na]+	339.83996	142.0
[M-H]-	315.84346	132.1
[M+NH4]+	334.88456	151.3
[M+K]+	355.81390	143.2
[M+H-H2O]+	299.84800	130.1
[M+HCOO]-	361.84894	145.7
[M+CH3COO]-	375.86459	189.7
[M+Na-2H]-	337.82541	130.8
[M]+	316.85019	138.0
[M]-	316.85129	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe