CID 3061795

79759-69-6

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O₂

SMILES

COC1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)NC2=O

InChI

InChI=1S/C14H11ClN2O2/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)

InChIKey

NQCYURBIJNZMEG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.0509 Da
Monoisotopic Mass: 2.9
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]+	275.05818	157.9
[M+Na]+	297.04012	171.0
[M-H]-	273.04362	162.9
[M+NH4]+	292.08472	175.0
[M+K]+	313.01406	164.1
[M+H-H2O]+	257.04816	150.4
[M+HCOO]-	319.04910	176.0
[M+CH3COO]-	333.06475	171.1
[M+Na-2H]-	295.02557	163.3
[M]+	274.05035	162.9
[M]-	274.05145	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe