CID 3050127

3-phenyl-4h-1-benzopyran-4-thione

Structural Information

Molecular Formula

C₁₅H₁₀OS

SMILES

C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=S

InChI

InChI=1S/C15H10OS/c17-15-12-8-4-5-9-14(12)16-10-13(15)11-6-2-1-3-7-11/h1-10H

InChIKey

ZJPQORXPVDQBEV-UHFFFAOYSA-N

Compound name

3-phenylchromene-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 238.04524 Da
Monoisotopic Mass: 3.8
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]+	239.05252	147.8
[M+Na]+	261.03446	165.9
[M+NH4]+	256.07906	159.1
[M+K]+	277.00840	154.4
[M-H]-	237.03796	156.1
[M+Na-2H]-	259.01991	158.8
[M]+	238.04469	153.7
[M]-	238.04579	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe