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

51
Patents

142.05424 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.061516 123.5
[M+Na]+ 165.043458 135.3
[M-H]- 141.046964 124.2
[M+NH4]+ 160.088063 145.0
[M+K]+ 181.017398 133.7
[M+H-H2O]+ 125.051500 116.7
[M+HCOO]- 187.052441 146.6
[M+CH3COO]- 201.068091 175.0
[M+Na-2H]- 163.028906 128.3
[M]+ 142.05369142 124.8
[M]- 142.05478858 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