CID 90935

23474-40-0

Structural Information

Molecular Formula

C₉H₆Cl₂FNO₂

SMILES

C1=CC(=C(C=C1F)Cl)C2(C(O2)Cl)C(=O)N

InChI

InChI=1S/C9H6Cl2FNO2/c10-6-3-4(12)1-2-5(6)9(8(13)14)7(11)15-9/h1-3,7H,(H2,13,14)

InChIKey

JDNAJAXZNLKSTI-UHFFFAOYSA-N

Compound name

3-chloro-2-(2-chloro-4-fluorophenyl)oxirane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 248.97597 Da
Monoisotopic Mass: 1.8
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]+	249.983246	139.1
[M+Na]+	271.965188	151.4
[M-H]-	247.968694	145.7
[M+NH4]+	267.009793	153.4
[M+K]+	287.939128	147.4
[M+H-H2O]+	231.973230	134.6
[M+HCOO]-	293.974171	152.4
[M+CH3COO]-	307.989821	195.0
[M+Na-2H]-	269.950636	144.4
[M]+	248.97542142	144.2
[M]-	248.97651858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe