CID 209487

Brn 0233225

Structural Information

Molecular Formula

C₁₃H₈Cl₂N₂O

SMILES

C1=CC(=CC=C1N2C3=C(C=CC(=C3)Cl)NC2=O)Cl

InChI

InChI=1S/C13H8Cl2N2O/c14-8-1-4-10(5-2-8)17-12-7-9(15)3-6-11(12)16-13(17)18/h1-7H,(H,16,18)

InChIKey

RZKDANBEMUEGFO-UHFFFAOYSA-N

Compound name

5-chloro-3-(4-chlorophenyl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.00137 Da
Monoisotopic Mass: 3.6
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]+	279.00865	156.4
[M+Na]+	300.99059	174.8
[M+NH4]+	296.03519	165.7
[M+K]+	316.96453	167.1
[M-H]-	276.99409	160.1
[M+Na-2H]-	298.97604	165.6
[M]+	278.00082	160.9
[M]-	278.00192	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe