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

14
Patents

196.0129 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.020176 138.1
[M+Na]+ 219.002118 145.1
[M-H]- 195.005624 140.4
[M+NH4]+ 214.046723 156.6
[M+K]+ 234.976058 139.2
[M+H-H2O]+ 179.010160 131.9
[M+HCOO]- 241.011101 150.2
[M+CH3COO]- 255.026751 186.5
[M+Na-2H]- 216.987566 137.3
[M]+ 196.01235142 134.6
[M]- 196.01344858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe