CID 2759296

398151-25-2

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC(=CC(=C1)O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H10O2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-9,15H

InChIKey

NNZHMXXGNYZGLA-UHFFFAOYSA-N

Compound name

4-(3-hydroxyphenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 198.06808 Da
Monoisotopic Mass: 2.7
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]+	199.075356	140.3
[M+Na]+	221.057298	149.1
[M-H]-	197.060804	146.3
[M+NH4]+	216.101903	159.0
[M+K]+	237.031238	145.1
[M+H-H2O]+	181.065340	133.8
[M+HCOO]-	243.066281	164.3
[M+CH3COO]-	257.081931	181.9
[M+Na-2H]-	219.042746	147.2
[M]+	198.06753142	140.2
[M]-	198.06862858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe