CID 3159617

138907-81-0

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)F
InChI
InChI=1S/C10H7FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKey
VHGLETHNIUVDGO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

206.04915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05643 143.0
[M+Na]+ 229.03837 155.1
[M+NH4]+ 224.08297 149.6
[M+K]+ 245.01231 151.7
[M-H]- 205.04187 143.1
[M+Na-2H]- 227.02382 149.6
[M]+ 206.04860 144.5
[M]- 206.04970 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe