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

12
Patents

128.03859 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04587 119.4
[M+Na]+ 151.02781 130.6
[M-H]- 127.03131 119.9
[M+NH4]+ 146.07241 141.1
[M+K]+ 167.00175 129.4
[M+H-H2O]+ 111.03585 112.4
[M+HCOO]- 173.03679 142.8
[M+CH3COO]- 187.05244 170.8
[M+Na-2H]- 149.01326 125.4
[M]+ 128.03804 120.0
[M]- 128.03914 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