CID 16217811

5-(4-bromophenyl)isoxazole-3-carboxylic acid hydrazide

Structural Information

Molecular Formula
C10H8BrN3O2
SMILES
C1=CC(=CC=C1C2=CC(=NO2)C(=O)NN)Br
InChI
InChI=1S/C10H8BrN3O2/c11-7-3-1-6(2-4-7)9-5-8(14-16-9)10(15)13-12/h1-5H,12H2,(H,13,15)
InChIKey
MKPZSOFCTGFTNF-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.97998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.987256 153.6
[M+Na]+ 303.969198 164.5
[M-H]- 279.972704 162.2
[M+NH4]+ 299.013803 171.3
[M+K]+ 319.943138 154.1
[M+H-H2O]+ 263.977240 151.3
[M+HCOO]- 325.978181 176.1
[M+CH3COO]- 339.993831 197.1
[M+Na-2H]- 301.954646 159.8
[M]+ 280.97943142 171.4
[M]- 280.98052858 171.4
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

patents stripe