CID 3061821

5-(4-fluorophenyl)-1,2,4-triazine-3(2h)-thione

Structural Information

Molecular Formula
C9H6FN3S
SMILES
C1=CC(=CC=C1C2=NC(=S)NN=C2)F
InChI
InChI=1S/C9H6FN3S/c10-7-3-1-6(2-4-7)8-5-11-13-9(14)12-8/h1-5H,(H,12,13,14)
InChIKey
LVBZSGXTYQXWNJ-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02664 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03392 138.9
[M+Na]+ 230.01586 150.3
[M-H]- 206.01936 139.9
[M+NH4]+ 225.06046 154.0
[M+K]+ 245.98980 143.7
[M+H-H2O]+ 190.02390 130.2
[M+HCOO]- 252.02484 153.6
[M+CH3COO]- 266.04049 151.1
[M+Na-2H]- 228.00131 143.9
[M]+ 207.02609 137.2
[M]- 207.02719 137.2
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.