CID 6481039

Akos018088362

Structural Information

Molecular Formula
C9H7FN4O2
SMILES
C1=CC(=C(C=C1F)C(=O)NC2=NC=NN2)O
InChI
InChI=1S/C9H7FN4O2/c10-5-1-2-7(15)6(3-5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKey
NNQOYAFHJSXUFD-UHFFFAOYSA-N
Compound name
5-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.0553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06258 144.1
[M+Na]+ 245.04452 152.8
[M-H]- 221.04802 143.8
[M+NH4]+ 240.08912 158.3
[M+K]+ 261.01846 148.5
[M+H-H2O]+ 205.05256 134.8
[M+HCOO]- 267.05350 163.6
[M+CH3COO]- 281.06915 183.6
[M+Na-2H]- 243.02997 148.7
[M]+ 222.05475 140.5
[M]- 222.05585 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.