CID 44228955

2-chloro-5-(ethylsulfonyl)pyridine

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

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

InChI

InChI=1S/C7H8ClNO2S/c1-2-12(10,11)6-3-4-7(8)9-5-6/h3-5H,2H2,1H3

InChIKey

QODYXXLKCFWFJV-UHFFFAOYSA-N

Compound name

2-chloro-5-ethylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 204.99643 Da
Monoisotopic Mass: 1.4
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]+	206.00371	140.8
[M+Na]+	227.98565	154.3
[M+NH4]+	223.03025	149.1
[M+K]+	243.95959	146.1
[M-H]-	203.98915	141.6
[M+Na-2H]-	225.97110	147.1
[M]+	204.99588	143.7
[M]-	204.99698	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe