CID 119091657

55040-49-8

Structural Information

Molecular Formula

C₈H₅ClN₂OS

SMILES

C1=CSC2=C1C(=NC=C2C(=O)N)Cl

InChI

InChI=1S/C8H5ClN2OS/c9-7-4-1-2-13-6(4)5(3-11-7)8(10)12/h1-3H,(H2,10,12)

InChIKey

ATSVIWBDZFVRNQ-UHFFFAOYSA-N

Compound name

4-chlorothieno[3,2-c]pyridine-7-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.98111 Da
Monoisotopic Mass: 1.7
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]+	212.98839	139.4
[M+Na]+	234.97033	151.7
[M-H]-	210.97383	143.6
[M+NH4]+	230.01493	161.2
[M+K]+	250.94427	146.7
[M+H-H2O]+	194.97837	134.7
[M+HCOO]-	256.97931	155.1
[M+CH3COO]-	270.99496	153.7
[M+Na-2H]-	232.95578	143.1
[M]+	211.98056	144.0
[M]-	211.98166	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe