CID 14964924

Ethyl 2-chloro-5-nitronicotinate

Structural Information

Molecular Formula

C₈H₇ClN₂O₄

SMILES

CCOC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3

InChIKey

OXOWYVJYDSTHGX-UHFFFAOYSA-N

Compound name

ethyl 2-chloro-5-nitropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.00943 Da
Monoisotopic Mass: 1.9
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]+	231.01671	142.2
[M+Na]+	252.99865	156.0
[M+NH4]+	248.04325	149.3
[M+K]+	268.97259	153.3
[M-H]-	229.00215	143.9
[M+Na-2H]-	250.98410	147.9
[M]+	230.00888	144.7
[M]-	230.00998	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe