CID 114840130

1712408-56-4

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
COC1=C(C=CC(=C1)N2C=CC(=N2)C(=O)O)F
InChI
InChI=1S/C11H9FN2O3/c1-17-10-6-7(2-3-8(10)12)14-5-4-9(13-14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKey
YCBGVIRALCEJAG-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-methoxyphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.05972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06700 150.9
[M+Na]+ 259.04894 162.6
[M+NH4]+ 254.09354 156.6
[M+K]+ 275.02288 159.7
[M-H]- 235.05244 150.4
[M+Na-2H]- 257.03439 156.4
[M]+ 236.05917 152.1
[M]- 236.06027 152.1
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.