CID 121552481

Methyl 5-fluoro-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H7FN2O2
SMILES
CN1C(=CC(=N1)C(=O)OC)F
InChI
InChI=1S/C6H7FN2O2/c1-9-5(7)3-4(8-9)6(10)11-2/h3H,1-2H3
InChIKey
JGBDIFUQXGCTRN-UHFFFAOYSA-N
Compound name
methyl 5-fluoro-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05643 127.5
[M+Na]+ 181.03837 138.0
[M-H]- 157.04187 128.0
[M+NH4]+ 176.08297 148.0
[M+K]+ 197.01231 137.4
[M+H-H2O]+ 141.04641 120.3
[M+HCOO]- 203.04735 149.8
[M+CH3COO]- 217.06300 176.0
[M+Na-2H]- 179.02382 131.8
[M]+ 158.04860 129.1
[M]- 158.04970 129.1
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

No patent data available for this compound.