CID 55298956

4-fluoro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H3FN2O2
SMILES
C1=NNC(=C1F)C(=O)O
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKey
WCXNFMBCBLMCDP-UHFFFAOYSA-N
Compound name
4-fluoro-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

130.01785 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02513 120.3
[M+Na]+ 153.00707 129.8
[M-H]- 129.01057 117.9
[M+NH4]+ 148.05167 140.0
[M+K]+ 168.98101 127.8
[M+H-H2O]+ 113.01511 113.5
[M+HCOO]- 175.01605 140.2
[M+CH3COO]- 189.03170 164.3
[M+Na-2H]- 150.99252 125.2
[M]+ 130.01730 117.1
[M]- 130.01840 117.1
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

patents stripe