CID 90937

23474-42-2

Structural Information

Molecular Formula

C₉H₇Cl₂NO₂

SMILES

C1=CC=C(C(=C1)C2(C(O2)Cl)C(=O)N)Cl

InChI

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

InChIKey

ZLEOLTREQNOWMM-UHFFFAOYSA-N

Compound name

3-chloro-2-(2-chlorophenyl)oxirane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.98538 Da
Monoisotopic Mass: 1.7
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