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

13
Patents

196.0129 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02018 138.1
[M+Na]+ 219.00212 145.1
[M-H]- 195.00562 140.4
[M+NH4]+ 214.04672 156.6
[M+K]+ 234.97606 139.2
[M+H-H2O]+ 179.01016 131.9
[M+HCOO]- 241.01110 150.2
[M+CH3COO]- 255.02675 186.5
[M+Na-2H]- 216.98757 137.3
[M]+ 196.01235 134.6
[M]- 196.01345 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