CID 656765

Dcebio

Structural Information

Molecular Formula

C₉H₈Cl₂N₂O

SMILES

CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl

InChI

InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)

InChIKey

LKHRMULASXZCLG-UHFFFAOYSA-N

Compound name

5,6-dichloro-3-ethyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 42
References: 94
Patents: 230.00137 Da
Monoisotopic Mass: 2.4
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]+	231.00865	142.8
[M+Na]+	252.99059	159.0
[M+NH4]+	248.03519	151.5
[M+K]+	268.96453	152.8
[M-H]-	228.99409	143.8
[M+Na-2H]-	250.97604	149.1
[M]+	230.00082	146.0
[M]-	230.00192	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe