CID 135651184

478255-42-4

Structural Information

Molecular Formula
C15H9ClI2N4OS
SMILES
C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)I)I)O
InChI
InChI=1S/C15H9ClI2N4OS/c16-10-3-1-2-8(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
JSCXEVZMDQMUOV-FBCYGCLPSA-N
Compound name
3-(3-chlorophenyl)-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

581.8275 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.83478 199.9
[M+Na]+ 604.81672 198.3
[M+NH4]+ 599.86132 197.8
[M+K]+ 620.79066 197.4
[M-H]- 580.82022 192.0
[M+Na-2H]- 602.80217 185.3
[M]+ 581.82695 196.1
[M]- 581.82805 196.1
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.