CID 6481043

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

Structural Information

Molecular Formula
C9H7BrN4O2
SMILES
C1=CC(=C(C=C1Br)C(=O)NN2C=NC=N2)O
InChI
InChI=1S/C9H7BrN4O2/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
MLSGFFVRUUQAOI-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.97525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98253 148.9
[M+Na]+ 304.96447 160.8
[M-H]- 280.96797 154.0
[M+NH4]+ 300.00907 165.4
[M+K]+ 320.93841 149.3
[M+H-H2O]+ 264.97251 146.6
[M+HCOO]- 326.97345 168.7
[M+CH3COO]- 340.98910 193.1
[M+Na-2H]- 302.94992 155.7
[M]+ 281.97470 166.9
[M]- 281.97580 166.9
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.