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 168.8
[M+Na]+ 341.03014 181.9
[M+NH4]+ 336.07474 176.2
[M+K]+ 357.00408 174.0
[M-H]- 317.03364 172.4
[M+Na-2H]- 339.01559 176.0
[M]+ 318.04037 172.5
[M]- 318.04147 172.5
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.