CID 100024501

3-fluoro-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H5FN2O
SMILES
CN1C=C(C(=N1)F)C=O
InChI
InChI=1S/C5H5FN2O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3
InChIKey
FFIKIAXDPVQEFR-UHFFFAOYSA-N
Compound name
3-fluoro-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

128.03859 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.045866 119.4
[M+Na]+ 151.027808 130.6
[M-H]- 127.031314 119.9
[M+NH4]+ 146.072413 141.1
[M+K]+ 167.001748 129.4
[M+H-H2O]+ 111.035850 112.4
[M+HCOO]- 173.036791 142.8
[M+CH3COO]- 187.052441 170.8
[M+Na-2H]- 149.013256 125.4
[M]+ 128.03804142 120.0
[M]- 128.03913858 120.0
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