CID 38284

3-phenoxybenzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O

InChI

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

InChIKey

MRLGCTNJRREZHZ-UHFFFAOYSA-N

Compound name

3-phenoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 39
References: 3285
Patents: 198.06808 Da
Monoisotopic Mass: 3.4
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	148.6
[M-H]-	197.060804	147.3
[M+NH4]+	216.101903	159.3
[M+K]+	237.031238	145.4
[M+H-H2O]+	181.065340	133.2
[M+HCOO]-	243.066281	165.7
[M+CH3COO]-	257.081931	183.4
[M+Na-2H]-	219.042746	148.3
[M]+	198.06753142	141.6
[M]-	198.06862858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe