CID 68380102

1-(2-fluoroethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H7FN2O2
SMILES
C1=C(C=NN1CCF)C(=O)O
InChI
InChI=1S/C6H7FN2O2/c7-1-2-9-4-5(3-8-9)6(10)11/h3-4H,1-2H2,(H,10,11)
InChIKey
BDCXXWQWUCDYSQ-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.04915 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05643 128.7
[M+Na]+ 181.03837 137.7
[M-H]- 157.04187 127.3
[M+NH4]+ 176.08297 148.0
[M+K]+ 197.01231 136.2
[M+H-H2O]+ 141.04641 121.2
[M+HCOO]- 203.04735 149.4
[M+CH3COO]- 217.06300 172.9
[M+Na-2H]- 179.02382 133.1
[M]+ 158.04860 128.1
[M]- 158.04970 128.1
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