CID 90934

23474-39-7

Structural Information

Molecular Formula

C₉H₆BrCl₂NO₂

SMILES

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

InChI

InChI=1S/C9H6BrCl2NO2/c10-7-9(15-7,8(13)14)5-2-1-4(11)3-6(5)12/h1-3,7H,(H2,13,14)

InChIKey

VCQVXLBFBWVZNI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.8959 Da
Monoisotopic Mass: 2.5
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]+	309.90318	147.1
[M+Na]+	331.88512	162.4
[M-H]-	307.88862	157.0
[M+NH4]+	326.92972	162.9
[M+K]+	347.85906	149.9
[M+H-H2O]+	291.89316	148.7
[M+HCOO]-	353.89410	159.3
[M+CH3COO]-	367.90975	201.3
[M+Na-2H]-	329.87057	153.9
[M]+	308.89535	170.3
[M]-	308.89645	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe