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

48
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 123.5
[M+Na]+ 165.04346 135.3
[M-H]- 141.04696 124.2
[M+NH4]+ 160.08806 145.0
[M+K]+ 181.01740 133.7
[M+H-H2O]+ 125.05150 116.7
[M+HCOO]- 187.05244 146.6
[M+CH3COO]- 201.06809 175.0
[M+Na-2H]- 163.02891 128.3
[M]+ 142.05369 124.8
[M]- 142.05479 124.8
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