CID 3044610

57543-47-2

Structural Information

Molecular Formula

C₁₆H₁₂O₂

SMILES

C1=CC=C(C=C1)C2C(=CC3=CC=CC=C3O2)C=O

InChI

InChI=1S/C16H12O2/c17-11-14-10-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-11,16H

InChIKey

ZBKURGXVANGNSK-UHFFFAOYSA-N

Compound name

2-phenyl-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.08372 Da
Monoisotopic Mass: 3.1
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]+	237.09100	151.1
[M+Na]+	259.07294	168.1
[M+NH4]+	254.11754	161.3
[M+K]+	275.04688	159.1
[M-H]-	235.07644	158.5
[M+Na-2H]-	257.05839	161.1
[M]+	236.08317	155.9
[M]-	236.08427	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe