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]+ 171.05643 134.2
[M+Na]+ 193.03837 145.6
[M-H]- 169.04187 137.2
[M+NH4]+ 188.08297 148.4
[M+K]+ 209.01231 141.6
[M+H-H2O]+ 153.04641 126.4
[M+HCOO]- 215.04735 155.0
[M+CH3COO]- 229.06300 179.2
[M+Na-2H]- 191.02382 137.6
[M]+ 170.04860 135.5
[M]- 170.04970 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.