CID 55157

83823-24-9

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO₂

SMILES

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

InChI

InChI=1S/C10H7Cl2NO2/c11-7-2-5-1-6(10(13)14)4-15-9(5)8(12)3-7/h1-3H,4H2,(H2,13,14)

InChIKey

HHFWAGNHRCLHGY-UHFFFAOYSA-N

Compound name

6,8-dichloro-2H-chromene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.98538 Da
Monoisotopic Mass: 2.1
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]+	243.992656	147.3
[M+Na]+	265.974598	157.8
[M-H]-	241.978104	151.8
[M+NH4]+	261.019203	165.7
[M+K]+	281.948538	153.5
[M+H-H2O]+	225.982640	143.3
[M+HCOO]-	287.983581	159.4
[M+CH3COO]-	301.999231	192.3
[M+Na-2H]-	263.960046	152.7
[M]+	242.98483142	149.9
[M]-	242.98592858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.