CID 119053480

1823402-99-8

Structural Information

Molecular Formula
C7H9FN2O2
SMILES
CCN1C(=C(C(=N1)C)C(=O)O)F
InChI
InChI=1S/C7H9FN2O2/c1-3-10-6(8)5(7(11)12)4(2)9-10/h3H2,1-2H3,(H,11,12)
InChIKey
YSHKCSUPBXMWAB-UHFFFAOYSA-N
Compound name
1-ethyl-5-fluoro-3-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0648 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07208 136.1
[M+Na]+ 195.05402 146.2
[M+NH4]+ 190.09862 141.9
[M+K]+ 211.02796 144.1
[M-H]- 171.05752 133.5
[M+Na-2H]- 193.03947 138.9
[M]+ 172.06425 136.4
[M]- 172.06535 136.4
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.