CID 2774534

2-(ethylthio)nicotinoyl chloride

Structural Information

Molecular Formula

SMILES

CCSC1=C(C=CC=N1)C(=O)Cl

InChI

InChI=1S/C8H8ClNOS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3

InChIKey

HVBVEALTDTVCAO-UHFFFAOYSA-N

Compound name

2-ethylsulfanylpyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 201.00151 Da
Monoisotopic Mass: 2.6
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]+	202.00879	139.7
[M+Na]+	223.99073	153.5
[M+NH4]+	219.03533	148.9
[M+K]+	239.96467	144.4
[M-H]-	199.99423	141.6
[M+Na-2H]-	221.97618	146.3
[M]+	201.00096	143.0
[M]-	201.00206	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe