CID 2736400

Ethyl 3-(chlorosulfonyl)isonicotinate

Structural Information

Molecular Formula

C₈H₈ClNO₄S

SMILES

CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H8ClNO4S/c1-2-14-8(11)6-3-4-10-5-7(6)15(9,12)13/h3-5H,2H2,1H3

InChIKey

USJWOJZNWZSBGK-UHFFFAOYSA-N

Compound name

ethyl 3-chlorosulfonylpyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 248.98625 Da
Monoisotopic Mass: 1.1
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]+	249.99353	150.1
[M+Na]+	271.97547	162.1
[M+NH4]+	267.02007	156.7
[M+K]+	287.94941	155.6
[M-H]-	247.97897	149.3
[M+Na-2H]-	269.96092	154.9
[M]+	248.98570	152.2
[M]-	248.98680	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe