CID 728651

15950-35-3

Structural Information

Molecular Formula

C₁₁H₈ClNOS

SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H8ClNOS/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)

InChIKey

WLTROZHZCWIOKG-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 237.00151 Da
Monoisotopic Mass: 3.4
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]+	238.00879	149.9
[M+Na]+	259.99073	159.2
[M-H]-	235.99423	157.4
[M+NH4]+	255.03533	170.6
[M+K]+	275.96467	153.8
[M+H-H2O]+	219.99877	144.5
[M+HCOO]-	281.99971	166.8
[M+CH3COO]-	296.01536	163.3
[M+Na-2H]-	257.97618	152.0
[M]+	237.00096	152.9
[M]-	237.00206	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.