CID 6890321

675131-20-1

Structural Information

Molecular Formula
C14H10FN5S
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CN=CC=C3)F
InChI
InChI=1S/C14H10FN5S/c15-12-6-2-1-5-11(12)13-18-19-14(21)20(13)17-9-10-4-3-7-16-8-10/h1-9H,(H,19,21)/b17-9+
InChIKey
OTNDQPRKRKOFQN-RQZCQDPDSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0641 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07138 164.3
[M+Na]+ 322.05332 178.6
[M+NH4]+ 317.09792 170.9
[M+K]+ 338.02726 170.8
[M-H]- 298.05682 167.5
[M+Na-2H]- 320.03877 173.5
[M]+ 299.06355 167.5
[M]- 299.06465 167.5
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.