CID 724205

1847-01-4

Structural Information

Molecular Formula

C₁₆H₁₀ClNO₃

SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H10ClNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19)

InChIKey

HIAOLTCVCGLFPP-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-2-oxochromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 299.0349 Da
Monoisotopic Mass: 3.6
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]+	300.04218	164.1
[M+Na]+	322.02412	174.2
[M-H]-	298.02762	172.9
[M+NH4]+	317.06872	179.5
[M+K]+	337.99806	169.7
[M+H-H2O]+	282.03216	156.8
[M+HCOO]-	344.03310	183.1
[M+CH3COO]-	358.04875	176.9
[M+Na-2H]-	320.00957	171.5
[M]+	299.03435	168.3
[M]-	299.03545	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe