CID 2776199

119082-98-3

Structural Information

Molecular Formula

C₁₀H₆ClNOS

SMILES

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

InChI

InChI=1S/C10H6ClNOS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H

InChIKey

NAWHORNTKSFUCQ-UHFFFAOYSA-N

Compound name

5-pyridin-2-ylthiophene-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 222.98586 Da
Monoisotopic Mass: 3.1
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]+	223.99314	144.7
[M+Na]+	245.97508	159.1
[M+NH4]+	241.01968	154.5
[M+K]+	261.94902	151.3
[M-H]-	221.97858	148.5
[M+Na-2H]-	243.96053	153.1
[M]+	222.98531	148.7
[M]-	222.98641	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe