CID 15850399

Ethyl 2-chloro-4-iodonicotinate

Structural Information

Molecular Formula

C₈H₇ClINO₂

SMILES

CCOC(=O)C1=C(C=CN=C1Cl)I

InChI

InChI=1S/C8H7ClINO2/c1-2-13-8(12)6-5(10)3-4-11-7(6)9/h3-4H,2H2,1H3

InChIKey

YOJVEUAQIMBZSL-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-4-iodopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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	147.1
[M+Na]+	333.91022	153.2
[M+NH4]+	328.95482	150.7
[M+K]+	349.88416	150.2
[M-H]-	309.91372	141.9
[M+Na-2H]-	331.89567	141.0
[M]+	310.92045	145.6
[M]-	310.92155	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe