CID 119056208

1-ethyl-5-fluoro-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H9FN2O
SMILES
CCN1C(=C(C(=N1)C)C=O)F
InChI
InChI=1S/C7H9FN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h4H,3H2,1-2H3
InChIKey
AIWJHMKHVJHMRP-UHFFFAOYSA-N
Compound name
1-ethyl-5-fluoro-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06989 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07717 132.5
[M+Na]+ 179.05911 144.0
[M+NH4]+ 174.10371 139.4
[M+K]+ 195.03305 140.2
[M-H]- 155.06261 131.1
[M+Na-2H]- 177.04456 136.8
[M]+ 156.06934 133.5
[M]- 156.07044 133.5
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.