CID 6481038

5-fluoro-2-hydroxy-n-(1,2,4-triazol-1-yl)benzamide

Structural Information

Molecular Formula
C9H7FN4O2
SMILES
C1=CC(=C(C=C1F)C(=O)NN2C=NC=N2)O
InChI
InChI=1S/C9H7FN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKey
DAALFNKIVAEIAE-UHFFFAOYSA-N
Compound name
5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.0553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06258 143.6
[M+Na]+ 245.04452 152.8
[M-H]- 221.04802 144.7
[M+NH4]+ 240.08912 158.6
[M+K]+ 261.01846 149.4
[M+H-H2O]+ 205.05256 134.1
[M+HCOO]- 267.05350 164.7
[M+CH3COO]- 281.06915 186.0
[M+Na-2H]- 243.02997 148.7
[M]+ 222.05475 141.9
[M]- 222.05585 141.9
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.