CID 150965

2060-55-1

Structural Information

Molecular Formula

C₉H₆O₂S₂

SMILES

C1=CSC(=C1)C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C9H6O2S2/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)

InChIKey

PTNWHEHDBNNKEO-UHFFFAOYSA-N

Compound name

5-thiophen-2-ylthiophene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 118
Patents: 209.98093 Da
Monoisotopic Mass: 2.8
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]+	210.98821	142.7
[M+Na]+	232.97015	153.7
[M+NH4]+	228.01475	152.1
[M+K]+	248.94409	147.6
[M-H]-	208.97365	145.7
[M+Na-2H]-	230.95560	148.3
[M]+	209.98038	146.0
[M]-	209.98148	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe