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: 278
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	137.3
[M+Na]+	230.90447	147.9
[M-H]-	206.90797	141.6
[M+NH4]+	225.94907	159.7
[M+K]+	246.87841	143.5
[M+H-H2O]+	190.91251	134.6
[M+HCOO]-	252.91345	147.4
[M+CH3COO]-	266.92910	180.0
[M+Na-2H]-	228.88992	137.3
[M]+	207.91470	142.4
[M]-	207.91580	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe