CID 1394009

16191-28-9

Structural Information

Molecular Formula

C₁₄H₁₂O

SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C=O

InChI

InChI=1S/C14H12O/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-10H,1H3

InChIKey

BNZMLIHMNWLHRL-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 273
Patents: 196.08882 Da
Monoisotopic Mass: 3.7
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]+	197.09610	140.8
[M+Na]+	219.07804	149.7
[M-H]-	195.08154	148.1
[M+NH4]+	214.12264	160.4
[M+K]+	235.05198	145.9
[M+H-H2O]+	179.08608	134.1
[M+HCOO]-	241.08702	165.8
[M+CH3COO]-	255.10267	185.5
[M+Na-2H]-	217.06349	147.7
[M]+	196.08827	141.5
[M]-	196.08937	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe