CID 2377702

748778-73-6

Structural Information

Molecular Formula

C₁₂H₇ClO₂S₂

SMILES

C1C(=C(C(=O)O1)C2=CC=CS2)C3=CC=C(S3)Cl

InChI

InChI=1S/C12H7ClO2S2/c13-10-4-3-8(17-10)7-6-15-12(14)11(7)9-2-1-5-16-9/h1-5H,6H2

InChIKey

RCLLWMPOHNZNAO-UHFFFAOYSA-N

Compound name

3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 281.9576 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]+	282.96488	163.9
[M+Na]+	304.94682	178.1
[M-H]-	280.95032	177.2
[M+NH4]+	299.99142	186.5
[M+K]+	320.92076	174.0
[M+H-H2O]+	264.95486	161.6
[M+HCOO]-	326.95580	178.2
[M+CH3COO]-	340.97145	179.0
[M+Na-2H]-	302.93227	160.6
[M]+	281.95705	172.2
[M]-	281.95815	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe