CID 12723754

4746-63-8

Structural Information

Molecular Formula

C₁₀H₈O₃S₂

SMILES

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

InChI

InChI=1S/C10H8O3S2/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8/h1-6,13H,(H,11,12)

InChIKey

FVEJUHUCFCAYRP-UHFFFAOYSA-N

Compound name

2-hydroxy-2,2-dithiophen-2-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 686
Patents: 239.99149 Da
Monoisotopic Mass: 1.7
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]+	240.99877	151.5
[M+Na]+	262.98071	160.5
[M+NH4]+	258.02531	159.6
[M+K]+	278.95465	156.1
[M-H]-	238.98421	152.8
[M+Na-2H]-	260.96616	156.2
[M]+	239.99094	153.9
[M]-	239.99204	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe