CID 4052210

35294-37-2

Structural Information

Molecular Formula

C₁₂H₁₀OS

SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=CS2

InChI

InChI=1S/C12H10OS/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3

InChIKey

VZCHCIWHJLPPNF-UHFFFAOYSA-N

Compound name

1-(4-thiophen-2-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 202.04524 Da
Monoisotopic Mass: 3.4
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]+	203.05252	143.2
[M+Na]+	225.03446	156.6
[M+NH4]+	220.07906	153.3
[M+K]+	241.00840	148.9
[M-H]-	201.03796	147.8
[M+Na-2H]-	223.01991	151.5
[M]+	202.04469	147.0
[M]-	202.04579	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe