CID 69999

2-phenylthiophene

Structural Information

Molecular Formula

C₁₀H₈S

SMILES

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

InChI

InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H

InChIKey

PJRGDKFLFAYRBV-UHFFFAOYSA-N

Compound name

2-phenylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 4947
Patents: 160.03467 Da
Monoisotopic Mass: 3.7
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]+	161.04195	131.1
[M+Na]+	183.02389	145.5
[M+NH4]+	178.06849	142.6
[M+K]+	198.99783	136.8
[M-H]-	159.02739	136.8
[M+Na-2H]-	181.00934	141.1
[M]+	160.03412	135.4
[M]-	160.03522	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe