CID 801489

5-(phenylsulfanyl)-2-furaldehyde

Structural Information

Molecular Formula

C₁₁H₈O₂S

SMILES

C1=CC=C(C=C1)SC2=CC=C(O2)C=O

InChI

InChI=1S/C11H8O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h1-8H

InChIKey

KQQAWPFBGKQMAF-UHFFFAOYSA-N

Compound name

5-phenylsulfanylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.0245 Da
Monoisotopic Mass: 3.2
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]+	205.03178	141.6
[M+Na]+	227.01372	155.5
[M+NH4]+	222.05832	151.3
[M+K]+	242.98766	148.1
[M-H]-	203.01722	147.2
[M+Na-2H]-	224.99917	149.5
[M]+	204.02395	145.8
[M]-	204.02505	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe