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]+ 252.041516 147.6
[M+Na]+ 274.023458 156.2
[M-H]- 250.026964 150.4
[M+NH4]+ 269.068063 162.1
[M+K]+ 289.997398 149.1
[M+H-H2O]+ 234.031500 143.5
[M+HCOO]- 296.032441 169.6
[M+CH3COO]- 310.048091 184.0
[M+Na-2H]- 272.008906 153.1
[M]+ 251.03369142 145.3
[M]- 251.03478858 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.