CID 18975489

5-fluoro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H7FN2O
SMILES
CC1=NN(C(=C1C=O)F)C
InChI
InChI=1S/C6H7FN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
InChIKey
ZIBYBDIMFRIMQY-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

142.05424 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06152 128.1
[M+Na]+ 165.04346 139.7
[M+NH4]+ 160.08806 135.0
[M+K]+ 181.01740 136.2
[M-H]- 141.04696 126.7
[M+Na-2H]- 163.02891 132.6
[M]+ 142.05369 129.0
[M]- 142.05479 129.0
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