CID 115016621

1-cyclobutyl-5-fluoro-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
C1CC(C1)N2C(=C(C=N2)C(=O)O)F
InChI
InChI=1S/C8H9FN2O2/c9-7-6(8(12)13)4-10-11(7)5-2-1-3-5/h4-5H,1-3H2,(H,12,13)
InChIKey
PBDPTZPCPYJFJC-UHFFFAOYSA-N
Compound name
1-cyclobutyl-5-fluoropyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072076 134.6
[M+Na]+ 207.054018 141.7
[M-H]- 183.057524 136.4
[M+NH4]+ 202.098623 146.4
[M+K]+ 223.027958 142.6
[M+H-H2O]+ 167.062060 121.9
[M+HCOO]- 229.063001 152.9
[M+CH3COO]- 243.078651 181.7
[M+Na-2H]- 205.039466 136.8
[M]+ 184.06425142 140.9
[M]- 184.06534858 140.9
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.