CID 135651113

577789-70-9

Structural Information

Molecular Formula
C15H11FN4O2S
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)O)O)F
InChI
InChI=1S/C15H11FN4O2S/c16-11-4-2-1-3-10(11)14-18-19-15(23)20(14)17-8-9-5-6-12(21)13(22)7-9/h1-8,21-22H,(H,19,23)/b17-8+
InChIKey
FPRQPEHOSIOUMF-CAOOACKPSA-N
Compound name
4-[(E)-(3,4-dihydroxyphenyl)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

330.0587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06598 174.1
[M+Na]+ 353.04792 186.9
[M+NH4]+ 348.09252 179.4
[M+K]+ 369.02186 180.6
[M-H]- 329.05142 176.1
[M+Na-2H]- 351.03337 180.8
[M]+ 330.05815 176.6
[M]- 330.05925 176.6
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.