CID 1474871

19434-35-6

Structural Information

Molecular Formula

C₁₄H₁₂O₂

SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2C=O

InChI

InChI=1S/C14H12O2/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-10H,1H3

InChIKey

VPSRCJKQVYKILL-UHFFFAOYSA-N

Compound name

2-(4-methylphenoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 212.08372 Da
Monoisotopic Mass: 3.6
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]+	213.09100	144.5
[M+Na]+	235.07294	153.3
[M-H]-	211.07644	151.7
[M+NH4]+	230.11754	163.3
[M+K]+	251.04688	149.9
[M+H-H2O]+	195.08098	137.4
[M+HCOO]-	257.08192	169.6
[M+CH3COO]-	271.09757	187.5
[M+Na-2H]-	233.05839	151.2
[M]+	212.08317	146.5
[M]-	212.08427	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe