CID 6859208

577699-37-7

Structural Information

Molecular Formula
C13H9FN4OS
SMILES
C1=COC(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H9FN4OS/c14-10-5-3-9(4-6-10)12-16-17-13(20)18(12)15-8-11-2-1-7-19-11/h1-8H,(H,17,20)/b15-8+
InChIKey
VMMSXGFHCMVZHG-OVCLIPMQSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0481 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05538 161.9
[M+Na]+ 311.03732 175.5
[M+NH4]+ 306.08192 168.5
[M+K]+ 327.01126 170.4
[M-H]- 287.04082 166.0
[M+Na-2H]- 309.02277 169.7
[M]+ 288.04755 165.3
[M]- 288.04865 165.3
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.