CID 214640

6-chloro-4-oxo-4h-chromene-2-carboxamide

Structural Information

Molecular Formula

C₁₀H₆ClNO₃

SMILES

C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)N

InChI

InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)7(13)4-9(15-8)10(12)14/h1-4H,(H2,12,14)

InChIKey

CKWNAIFHYXTWGG-UHFFFAOYSA-N

Compound name

6-chloro-4-oxochromene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 223.00362 Da
Monoisotopic Mass: 1.6
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]+	224.01090	141.1
[M+Na]+	245.99284	156.0
[M+NH4]+	241.03744	149.6
[M+K]+	261.96678	149.9
[M-H]-	221.99634	145.1
[M+Na-2H]-	243.97829	147.4
[M]+	223.00307	144.6
[M]-	223.00417	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe