CID 31936

23474-44-4

Structural Information

Molecular Formula

C₉H₇Cl₂NO₂

SMILES

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

InChI

InChI=1S/C9H7Cl2NO2/c10-5-1-2-6(7(11)3-5)9(4-14-9)8(12)13/h1-3H,4H2,(H2,12,13)

InChIKey

BSUVNHZVLSEXMX-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)oxirane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.98538 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]+	231.99266	139.0
[M+Na]+	253.97460	150.4
[M-H]-	229.97810	146.6
[M+NH4]+	249.01920	153.7
[M+K]+	269.94854	147.0
[M+H-H2O]+	213.98264	135.2
[M+HCOO]-	275.98358	153.3
[M+CH3COO]-	289.99923	191.3
[M+Na-2H]-	251.96005	145.3
[M]+	230.98483	144.6
[M]-	230.98593	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe