CID 2735823

186982-41-2

Structural Information

Molecular Formula

C₆H₃ClN₂S₂

SMILES

C1=CSC(=C1)C2=NSC(=N2)Cl

InChI

InChI=1S/C6H3ClN2S2/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H

InChIKey

MRMAZVGSIMWZOZ-UHFFFAOYSA-N

Compound name

5-chloro-3-thiophen-2-yl-1,2,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 201.94261 Da
Monoisotopic Mass: 3.1
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]+	202.94989	135.8
[M+Na]+	224.93183	150.2
[M-H]-	200.93533	142.1
[M+NH4]+	219.97643	158.3
[M+K]+	240.90577	145.6
[M+H-H2O]+	184.93987	130.9
[M+HCOO]-	246.94081	148.3
[M+CH3COO]-	260.95646	150.9
[M+Na-2H]-	222.91728	136.1
[M]+	201.94206	141.8
[M]-	201.94316	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe