CID 56771551

1188375-17-8

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC(=CC(=C1)F)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKey
FMJUQKZHSLNVNW-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

206.04915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.056426 140.5
[M+Na]+ 229.038368 149.7
[M-H]- 205.041874 141.4
[M+NH4]+ 224.082973 157.0
[M+K]+ 245.012308 145.4
[M+H-H2O]+ 189.046410 132.3
[M+HCOO]- 251.047351 159.9
[M+CH3COO]- 265.063001 179.2
[M+Na-2H]- 227.023816 144.0
[M]+ 206.04860142 137.5
[M]- 206.04969858 137.5
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