CID 3059757

5-phenyl-as-triazine-3-thiol sodium salt

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C=C1)C2=CNNC(=S)N2
InChI
InChI=1S/C9H9N3S/c13-9-11-8(6-10-12-9)7-4-2-1-3-5-7/h1-6,10H,(H2,11,12,13)
InChIKey
RMRMOVHNJUYGOJ-UHFFFAOYSA-N
Compound name
5-phenyl-2,4-dihydro-1H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

191.05171 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 139.6
[M+Na]+ 214.04093 147.1
[M-H]- 190.04443 138.1
[M+NH4]+ 209.08553 153.5
[M+K]+ 230.01487 139.9
[M+H-H2O]+ 174.04897 132.4
[M+HCOO]- 236.04991 149.6
[M+CH3COO]- 250.06556 149.6
[M+Na-2H]- 212.02638 143.2
[M]+ 191.05116 132.2
[M]- 191.05226 132.2
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.