CID 6859177

573934-69-7

Structural Information

Molecular Formula
C14H11FN4S2
SMILES
CC1=CC=C(S1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN4S2/c1-9-2-7-12(21-9)8-16-19-13(17-18-14(19)20)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,18,20)/b16-8+
InChIKey
CNAVNFSWUXDYDN-LZYBPNLTSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.04092 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04820 167.1
[M+Na]+ 341.03014 181.5
[M-H]- 317.03364 174.3
[M+NH4]+ 336.07474 183.0
[M+K]+ 357.00408 173.1
[M+H-H2O]+ 301.03818 159.4
[M+HCOO]- 363.03912 182.5
[M+CH3COO]- 377.05477 179.7
[M+Na-2H]- 339.01559 165.0
[M]+ 318.04037 170.7
[M]- 318.04147 170.7
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.