CID 339482

63786-62-9

Structural Information

Molecular Formula

C₁₆H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=C(C2=O)C3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C16H10N2O2/c19-14-9-5-1-2-6-10(9)15(20)13(14)16-17-11-7-3-4-8-12(11)18-16/h1-8,19H,(H,17,18)

InChIKey

RGJISBMOFNDKCE-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)-3-hydroxyinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3
Patents: 262.07422 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]+	263.08150	157.8
[M+Na]+	285.06344	173.2
[M+NH4]+	280.10804	166.4
[M+K]+	301.03738	169.4
[M-H]-	261.06694	161.0
[M+Na-2H]-	283.04889	164.8
[M]+	262.07367	160.9
[M]-	262.07477	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe