CID 2795175

Benzene-1,4-dicarbothioamide

Structural Information

Molecular Formula

C₈H₈N₂S₂

SMILES

C1=CC(=CC=C1C(=S)N)C(=S)N

InChI

InChI=1S/C8H8N2S2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)

InChIKey

USHPIZCRGQUHGN-UHFFFAOYSA-N

Compound name

benzene-1,4-dicarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 196.0129 Da
Monoisotopic Mass: 1.2
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]+	197.02018	138.4
[M+Na]+	219.00212	147.5
[M+NH4]+	214.04672	147.0
[M+K]+	234.97606	139.1
[M-H]-	195.00562	141.3
[M+Na-2H]-	216.98757	143.0
[M]+	196.01235	141.2
[M]-	196.01345	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe