CID 135630476

676244-71-6

Structural Information

Molecular Formula
C15H11FN4O2S
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)O)O)F
InChI
InChI=1S/C15H11FN4O2S/c16-12-4-2-1-3-11(12)14-18-19-15(23)20(14)17-8-9-5-6-10(21)7-13(9)22/h1-8,21-22H,(H,19,23)/b17-8+
InChIKey
HBEYPPDZJBKKSB-CAOOACKPSA-N
Compound name
4-[(E)-(2,4-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 172.5
[M+Na]+ 353.04792 183.8
[M-H]- 329.05142 176.3
[M+NH4]+ 348.09252 183.6
[M+K]+ 369.02186 175.3
[M+H-H2O]+ 313.05596 163.2
[M+HCOO]- 375.05690 187.7
[M+CH3COO]- 389.07255 182.9
[M+Na-2H]- 351.03337 172.6
[M]+ 330.05815 172.2
[M]- 330.05925 172.2
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.