CID 3043859

56223-61-1

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C=C1)C2C=NNC(=S)N2
InChI
InChI=1S/C9H9N3S/c13-9-11-8(6-10-12-9)7-4-2-1-3-5-7/h1-6,8H,(H2,11,12,13)
InChIKey
UNXXYXYLEYDWCB-UHFFFAOYSA-N
Compound name
5-phenyl-4,5-dihydro-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 139.5
[M+Na]+ 214.04093 152.8
[M+NH4]+ 209.08553 147.7
[M+K]+ 230.01487 144.1
[M-H]- 190.04443 141.9
[M+Na-2H]- 212.02638 147.0
[M]+ 191.05116 142.4
[M]- 191.05226 142.4
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

No patent data available for this compound.