CID 45054401

5-(4-fluorophenyl)-3-isoxazolecarboxylic acid hydrazide

Structural Information

Molecular Formula
C10H8FN3O2
SMILES
C1=CC(=CC=C1C2=CC(=NO2)C(=O)NN)F
InChI
InChI=1S/C10H8FN3O2/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
FANDPJDQVOQOBO-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,2-oxazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06006 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06734 144.6
[M+Na]+ 244.04928 153.0
[M-H]- 220.05278 149.7
[M+NH4]+ 239.09388 161.1
[M+K]+ 260.02322 151.0
[M+H-H2O]+ 204.05732 136.0
[M+HCOO]- 266.05826 168.9
[M+CH3COO]- 280.07391 190.3
[M+Na-2H]- 242.03473 149.6
[M]+ 221.05951 142.9
[M]- 221.06061 142.9
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.