CID 135630473

716335-57-8

Structural Information

Molecular Formula
C15H9FI2N4OS
SMILES
C1=CC(=CC=C1C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)I)I)O)F
InChI
InChI=1S/C15H9FI2N4OS/c16-10-3-1-8(2-4-10)14-20-21-15(24)22(14)19-7-9-5-11(17)6-12(18)13(9)23/h1-7,23H,(H,21,24)/b19-7+
InChIKey
IEKJXEKDSAODDM-FBCYGCLPSA-N
Compound name
3-(4-fluorophenyl)-4-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.85706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.86434 198.1
[M+Na]+ 588.84628 195.0
[M+NH4]+ 583.89088 195.2
[M+K]+ 604.82022 194.9
[M-H]- 564.84978 189.0
[M+Na-2H]- 586.83173 182.8
[M]+ 565.85651 193.3
[M]- 565.85761 193.3
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.