CID 4655709

4-phenyl-1,2,4-triazolidine-3,5-dithione

Structural Information

Molecular Formula
C8H7N3S2
SMILES
C1=CC=C(C=C1)N2C(=S)NNC2=S
InChI
InChI=1S/C8H7N3S2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)
InChIKey
HHMMSIFWVIWYNN-UHFFFAOYSA-N
Compound name
4-phenyl-1,2,4-triazolidine-3,5-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

209.00813 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01541 141.4
[M+Na]+ 231.99735 154.3
[M+NH4]+ 227.04195 149.4
[M+K]+ 247.97129 145.8
[M-H]- 208.00085 143.2
[M+Na-2H]- 229.98280 147.1
[M]+ 209.00758 144.5
[M]- 209.00868 144.5
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