CID 90932

23474-37-5

Structural Information

Molecular Formula

C₉H₆Cl₃NO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)C2(C(O2)Cl)C(=O)N

InChI

InChI=1S/C9H6Cl3NO2/c10-4-1-2-5(6(11)3-4)9(8(13)14)7(12)15-9/h1-3,7H,(H2,13,14)

InChIKey

XCWKEQWYRJVKOK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.9464 Da
Monoisotopic Mass: 2.3
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]+	265.95368	142.6
[M+Na]+	287.93562	154.2
[M-H]-	263.93912	148.9
[M+NH4]+	282.98022	156.2
[M+K]+	303.90956	150.1
[M+H-H2O]+	247.94366	139.7
[M+HCOO]-	309.94460	151.5
[M+CH3COO]-	323.96025	197.5
[M+Na-2H]-	285.92107	147.3
[M]+	264.94585	148.5
[M]-	264.94695	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe