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 128.0
[M+Na]+ 165.04346 139.3
[M+NH4]+ 160.08806 134.9
[M+K]+ 181.01740 135.5
[M-H]- 141.04696 126.5
[M+Na-2H]- 163.02891 132.7
[M]+ 142.05369 128.9
[M]- 142.05479 128.9
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.