CID 115013687

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

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
C1CC1N2C(=C(C=N2)C(=O)O)F
InChI
InChI=1S/C7H7FN2O2/c8-6-5(7(11)12)3-9-10(6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKey
CYNOPNYFIKFCPC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04915 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.056426 134.2
[M+Na]+ 193.038368 145.6
[M-H]- 169.041874 137.2
[M+NH4]+ 188.082973 148.4
[M+K]+ 209.012308 141.6
[M+H-H2O]+ 153.046410 126.4
[M+HCOO]- 215.047351 155.0
[M+CH3COO]- 229.063001 179.2
[M+Na-2H]- 191.023816 137.6
[M]+ 170.04860142 135.5
[M]- 170.04969858 135.5
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.