CID 135416862

38337-19-8

Structural Information

Molecular Formula

C₁₆H₁₁NO₂

SMILES

C1=CC=C(C=C1)N=CC2=C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H11NO2/c18-15-12-8-4-5-9-13(12)16(19)14(15)10-17-11-6-2-1-3-7-11/h1-10,18H

InChIKey

YCFPANWURAKUJX-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(phenyliminomethyl)inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 10
Patents: 249.07898 Da
Monoisotopic Mass: 2.8
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]+	250.086256	153.6
[M+Na]+	272.068198	163.2
[M-H]-	248.071704	162.1
[M+NH4]+	267.112803	173.5
[M+K]+	288.042138	158.1
[M+H-H2O]+	232.076240	146.6
[M+HCOO]-	294.077181	179.8
[M+CH3COO]-	308.092831	167.3
[M+Na-2H]-	270.053646	159.5
[M]+	249.07843142	154.8
[M]-	249.07952858	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe