CID 135630202

676336-51-9

Structural Information

Molecular Formula
C15H9Br2FN4OS
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)Br)Br)O)F
InChI
InChI=1S/C15H9Br2FN4OS/c16-9-5-8(13(23)11(17)6-9)7-19-22-14(20-21-15(22)24)10-3-1-2-4-12(10)18/h1-7,23H,(H,21,24)/b19-7+
InChIKey
NHHWBGMMLLELDK-FBCYGCLPSA-N
Compound name
4-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.8848 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.89208 175.0
[M+Na]+ 492.87402 170.7
[M+NH4]+ 487.91862 175.5
[M+K]+ 508.84796 176.2
[M-H]- 468.87752 176.0
[M+Na-2H]- 490.85947 176.5
[M]+ 469.88425 173.8
[M]- 469.88535 173.8
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.