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

4
Patents

280.97998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.98726 153.6
[M+Na]+ 303.96920 164.5
[M-H]- 279.97270 162.2
[M+NH4]+ 299.01380 171.3
[M+K]+ 319.94314 154.1
[M+H-H2O]+ 263.97724 151.3
[M+HCOO]- 325.97818 176.1
[M+CH3COO]- 339.99383 197.1
[M+Na-2H]- 301.95465 159.8
[M]+ 280.97943 171.4
[M]- 280.98053 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