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

174
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 139.3
[M+Na]+ 231.99735 151.6
[M-H]- 208.00085 140.6
[M+NH4]+ 227.04195 156.1
[M+K]+ 247.97129 143.6
[M+H-H2O]+ 192.00539 133.4
[M+HCOO]- 254.00633 149.6
[M+CH3COO]- 268.02198 151.5
[M+Na-2H]- 229.98280 139.5
[M]+ 209.00758 137.8
[M]- 209.00868 137.8
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