CID 6880010

613248-47-8

Structural Information

Molecular Formula
C15H10F3N5S
SMILES
C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H10F3N5S/c16-15(17,18)11-6-4-10(5-7-11)9-20-23-13(21-22-14(23)24)12-3-1-2-8-19-12/h1-9H,(H,22,24)/b20-9+
InChIKey
PJLOOBDOIWPPCH-AWQFTUOYSA-N
Compound name
3-pyridin-2-yl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0609 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06818 173.5
[M+Na]+ 372.05012 184.1
[M+NH4]+ 367.09472 177.5
[M+K]+ 388.02406 178.0
[M-H]- 348.05362 172.6
[M+Na-2H]- 370.03557 180.2
[M]+ 349.06035 174.8
[M]- 349.06145 174.8
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.