CID 135613225

478255-34-4

Structural Information

Molecular Formula
C15H9Br2ClN4OS
SMILES
C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C15H9Br2ClN4OS/c16-10-4-9(13(23)12(17)6-10)7-19-22-14(20-21-15(22)24)8-2-1-3-11(18)5-8/h1-7,23H,(H,21,24)/b19-7+
InChIKey
JBZHOTFQJLPXSM-FBCYGCLPSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.85522 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.86250 175.5
[M+Na]+ 508.84444 172.3
[M+NH4]+ 503.88904 176.7
[M+K]+ 524.81838 177.3
[M-H]- 484.84794 177.5
[M+Na-2H]- 506.82989 177.6
[M]+ 485.85467 175.0
[M]- 485.85577 175.0
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.