CID 6879603

497824-02-9

Structural Information

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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07138 165.0
[M+Na]+ 322.05332 176.7
[M-H]- 298.05682 169.5
[M+NH4]+ 317.09792 177.1
[M+K]+ 338.02726 168.4
[M+H-H2O]+ 282.06136 154.3
[M+HCOO]- 344.06230 181.8
[M+CH3COO]- 358.07795 176.1
[M+Na-2H]- 320.03877 167.4
[M]+ 299.06355 164.8
[M]- 299.06465 164.8
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.