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 147.2
[M+Na]+ 259.04894 157.1
[M-H]- 235.05244 149.7
[M+NH4]+ 254.09354 163.5
[M+K]+ 275.02288 154.1
[M+H-H2O]+ 219.05698 138.7
[M+HCOO]- 281.05792 168.0
[M+CH3COO]- 295.07357 188.0
[M+Na-2H]- 257.03439 150.0
[M]+ 236.05917 148.2
[M]- 236.06027 148.2
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.