CID 71833001

1-ethyl-5-fluoro-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H7FN2O
SMILES
CCN1C(=C(C=N1)C=O)F
InChI
InChI=1S/C6H7FN2O/c1-2-9-6(7)5(4-10)3-8-9/h3-4H,2H2,1H3
InChIKey
QFEBFLDYSBLNLY-UHFFFAOYSA-N
Compound name
1-ethyl-5-fluoropyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.05424 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06152 124.1
[M+Na]+ 165.04346 134.9
[M-H]- 141.04696 124.4
[M+NH4]+ 160.08806 145.2
[M+K]+ 181.01740 133.4
[M+H-H2O]+ 125.05150 116.9
[M+HCOO]- 187.05244 147.1
[M+CH3COO]- 201.06809 173.9
[M+Na-2H]- 163.02891 129.5
[M]+ 142.05369 125.0
[M]- 142.05479 125.0
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

No patent data available for this compound.