CID 3781576

3857-36-1

Structural Information

Molecular Formula

C₆H₂Cl₂O₂S

SMILES

C1=C(SC(=C1)C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C6H2Cl2O2S/c7-5(9)3-1-2-4(11-3)6(8)10/h1-2H

InChIKey

UCRQTPGCFCBLOX-UHFFFAOYSA-N

Compound name

thiophene-2,5-dicarbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 207.91525 Da
Monoisotopic Mass: 3.3
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]+	208.92253	139.6
[M+Na]+	230.90447	151.4
[M+NH4]+	225.94907	148.4
[M+K]+	246.87841	145.2
[M-H]-	206.90797	140.2
[M+Na-2H]-	228.88992	144.0
[M]+	207.91470	142.3
[M]-	207.91580	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe