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]+ 222.067336 144.6
[M+Na]+ 244.049278 153.0
[M-H]- 220.052784 149.7
[M+NH4]+ 239.093883 161.1
[M+K]+ 260.023218 151.0
[M+H-H2O]+ 204.057320 136.0
[M+HCOO]- 266.058261 168.9
[M+CH3COO]- 280.073911 190.3
[M+Na-2H]- 242.034726 149.6
[M]+ 221.05951142 142.9
[M]- 221.06060858 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.