CID 6859219

578720-77-1

Structural Information

Molecular Formula
C16H13FN4S2
SMILES
CSC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F
InChI
InChI=1S/C16H13FN4S2/c1-23-12-8-6-11(7-9-12)10-18-21-15(19-20-16(21)22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey
LKGWPJNRDYPZTC-VCHYOVAHSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05658 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06386 174.6
[M+Na]+ 367.04580 188.3
[M+NH4]+ 362.09040 181.9
[M+K]+ 383.01974 178.0
[M-H]- 343.04930 178.7
[M+Na-2H]- 365.03125 182.5
[M]+ 344.05603 178.6
[M]- 344.05713 178.6
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.