CID 17750174

2-chloro-4-iodonicotinic acid

Structural Information

Molecular Formula

C₆H₃ClINO₂

SMILES

C1=CN=C(C(=C1I)C(=O)O)Cl

InChI

InChI=1S/C6H3ClINO2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H,10,11)

InChIKey

XOMBFOCJXYZRSI-UHFFFAOYSA-N

Compound name

2-chloro-4-iodopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 282.8897 Da
Monoisotopic Mass: 2.0
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]+	283.896976	135.7
[M+Na]+	305.878918	139.1
[M-H]-	281.882424	130.5
[M+NH4]+	300.923523	150.2
[M+K]+	321.852858	141.6
[M+H-H2O]+	265.886960	127.3
[M+HCOO]-	327.887901	148.6
[M+CH3COO]-	341.903551	184.1
[M+Na-2H]-	303.864366	129.9
[M]+	282.88915142	134.9
[M]-	282.89024858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe