CID 135651131

573937-47-0

Structural Information

Molecular Formula
C15H10BrFN4OS
SMILES
C1=CC(=CC=C1C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)O)F
InChI
InChI=1S/C15H10BrFN4OS/c16-11-3-6-13(22)10(7-11)8-18-21-14(19-20-15(21)23)9-1-4-12(17)5-2-9/h1-8,22H,(H,20,23)/b18-8+
InChIKey
OMVNRMKMCUGTJL-QGMBQPNBSA-N
Compound name
4-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.97427 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.98155 175.4
[M+Na]+ 414.96349 179.6
[M+NH4]+ 410.00809 178.1
[M+K]+ 430.93743 178.6
[M-H]- 390.96699 176.7
[M+Na-2H]- 412.94894 179.6
[M]+ 391.97372 175.4
[M]- 391.97482 175.4
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.