CID 3061792

79759-66-3

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂N₂O

SMILES

CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H10Cl2N2O/c1-17-12-7-4-10(16)8-13(12)18(14(17)19)11-5-2-9(15)3-6-11/h2-8H,1H3

InChIKey

TUBSJVSBJVGBMD-UHFFFAOYSA-N

Compound name

5-chloro-3-(4-chlorophenyl)-1-methylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.01703 Da
Monoisotopic Mass: 3.1
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]+	293.024306	161.5
[M+Na]+	315.006248	176.3
[M-H]-	291.009754	167.1
[M+NH4]+	310.050853	179.3
[M+K]+	330.980188	168.6
[M+H-H2O]+	275.014290	154.2
[M+HCOO]-	337.015231	175.5
[M+CH3COO]-	351.030881	174.9
[M+Na-2H]-	312.991696	165.5
[M]+	292.01648142	168.3
[M]-	292.01757858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.