CID 33676668

1-(4-fluorophenyl)-4-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H7FN2O3
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)O)F
InChI
InChI=1S/C10H7FN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKey
LRCSXWYNBZPFIC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05135 143.2
[M+Na]+ 245.03329 153.2
[M-H]- 221.03679 144.5
[M+NH4]+ 240.07789 159.3
[M+K]+ 261.00723 149.5
[M+H-H2O]+ 205.04133 135.2
[M+HCOO]- 267.04227 162.9
[M+CH3COO]- 281.05792 182.6
[M+Na-2H]- 243.01874 146.1
[M]+ 222.04352 142.1
[M]- 222.04462 142.1
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.