CID 19624568

1-(2-fluoro-4-nitrophenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H6FN3O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H6FN3O4/c11-8-3-7(14(17)18)1-2-9(8)13-5-6(4-12-13)10(15)16/h1-5H,(H,15,16)
InChIKey
OLDDITRQSNTZSO-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03424 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04152 147.6
[M+Na]+ 274.02346 156.2
[M-H]- 250.02696 150.4
[M+NH4]+ 269.06806 162.1
[M+K]+ 289.99740 149.1
[M+H-H2O]+ 234.03150 143.5
[M+HCOO]- 296.03244 169.6
[M+CH3COO]- 310.04809 184.0
[M+Na-2H]- 272.00891 153.1
[M]+ 251.03369 145.3
[M]- 251.03479 145.3
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.