CID 6859143

4-((2-fluorobenzylidene)amino)-5-(2-fluorophenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C15H10F2N4S
SMILES
C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F)F
InChI
InChI=1S/C15H10F2N4S/c16-12-7-3-1-5-10(12)9-18-21-14(19-20-15(21)22)11-6-2-4-8-13(11)17/h1-9H,(H,20,22)/b18-9+
InChIKey
QFJCBIHIKWFPJG-GIJQJNRQSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-(2-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.05942 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06670 167.8
[M+Na]+ 339.04864 179.8
[M-H]- 315.05214 172.4
[M+NH4]+ 334.09324 180.8
[M+K]+ 355.02258 171.2
[M+H-H2O]+ 299.05668 156.8
[M+HCOO]- 361.05762 184.5
[M+CH3COO]- 375.07327 179.0
[M+Na-2H]- 337.03409 168.5
[M]+ 316.05887 167.0
[M]- 316.05997 167.0
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.