CID 55156

6-chloro-2h-1-benzopyran-3-carboxamide

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)N

InChI

InChI=1S/C10H8ClNO2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-4H,5H2,(H2,12,13)

InChIKey

AEVIHJUGCAKAMU-UHFFFAOYSA-N

Compound name

6-chloro-2H-chromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 209.02435 Da
Monoisotopic Mass: 1.5
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]+	210.031626	140.9
[M+Na]+	232.013568	150.2
[M-H]-	208.017074	145.9
[M+NH4]+	227.058173	160.0
[M+K]+	247.987508	147.1
[M+H-H2O]+	192.021610	135.9
[M+HCOO]-	254.022551	158.2
[M+CH3COO]-	268.038201	186.5
[M+Na-2H]-	229.999016	147.9
[M]+	209.02380142	142.0
[M]-	209.02489858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe