CID 6889388

578701-28-7

Structural Information

Molecular Formula
C15H9ClF2N4S
SMILES
C1=CC(=C(C(=C1)Cl)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C15H9ClF2N4S/c16-12-2-1-3-13(18)11(12)8-19-22-14(20-21-15(22)23)9-4-6-10(17)7-5-9/h1-8H,(H,21,23)/b19-8+
InChIKey
GWGSZFRLDGTYCC-UFWORHAWSA-N
Compound name
4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.02045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02773 174.5
[M+Na]+ 373.00967 188.7
[M+NH4]+ 368.05427 180.9
[M+K]+ 388.98361 180.2
[M-H]- 349.01317 176.8
[M+Na-2H]- 370.99512 182.3
[M]+ 350.01990 177.7
[M]- 350.02100 177.7
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.