CID 2737231

151858-64-9

Structural Information

Molecular Formula

C₉H₆ClNO₂S₂

SMILES

C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C9H6ClNO2S2/c10-15(12,13)9-5-4-8(14-9)7-3-1-2-6-11-7/h1-6H

InChIKey

OGOMWPWAEIDEOU-UHFFFAOYSA-N

Compound name

5-pyridin-2-ylthiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 504
Patents: 258.95285 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]+	259.96013	152.7
[M+Na]+	281.94207	164.6
[M-H]-	257.94557	159.4
[M+NH4]+	276.98667	171.9
[M+K]+	297.91601	158.7
[M+H-H2O]+	241.95011	147.8
[M+HCOO]-	303.95105	162.5
[M+CH3COO]-	317.96670	185.9
[M+Na-2H]-	279.92752	154.8
[M]+	258.95230	157.7
[M]-	258.95340	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe