CID 90936

23474-41-1

Structural Information

Molecular Formula

C₁₀H₉Cl₂NO₂

SMILES

CC1=C(C=CC(=C1)Cl)C2(C(O2)Cl)C(=O)N

InChI

InChI=1S/C10H9Cl2NO2/c1-5-4-6(11)2-3-7(5)10(9(13)14)8(12)15-10/h2-4,8H,1H3,(H2,13,14)

InChIKey

WMYXMCBISNXBSE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.00104 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]+	246.00832	142.9
[M+Na]+	267.99026	154.7
[M-H]-	243.99376	150.6
[M+NH4]+	263.03486	157.3
[M+K]+	283.96420	150.9
[M+H-H2O]+	227.99830	139.2
[M+HCOO]-	289.99924	156.8
[M+CH3COO]-	304.01489	195.3
[M+Na-2H]-	265.97571	148.1
[M]+	245.00049	149.2
[M]-	245.00159	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe