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

17
Patents

206.04915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05643 140.5
[M+Na]+ 229.03837 149.7
[M-H]- 205.04187 141.4
[M+NH4]+ 224.08297 157.0
[M+K]+ 245.01231 145.4
[M+H-H2O]+ 189.04641 132.3
[M+HCOO]- 251.04735 159.9
[M+CH3COO]- 265.06300 179.2
[M+Na-2H]- 227.02382 144.0
[M]+ 206.04860 137.5
[M]- 206.04970 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