CID 335615

(3-methylthiophen-2-yl)(phenyl)methanone

Structural Information

Molecular Formula

C₁₂H₁₀OS

SMILES

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

InChI

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

InChIKey

UIILDZWHBSSNPM-UHFFFAOYSA-N

Compound name

(3-methylthiophen-2-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 202.04524 Da
Monoisotopic Mass: 3.6
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

No literature data available for this compound.

Patent stripe

patents stripe