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]+ 143.061516 124.1
[M+Na]+ 165.043458 134.9
[M-H]- 141.046964 124.4
[M+NH4]+ 160.088063 145.2
[M+K]+ 181.017398 133.4
[M+H-H2O]+ 125.051500 116.9
[M+HCOO]- 187.052441 147.1
[M+CH3COO]- 201.068091 173.9
[M+Na-2H]- 163.028906 129.5
[M]+ 142.05369142 125.0
[M]- 142.05478858 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.