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 128.2
[M+Na]+ 179.05911 139.6
[M-H]- 155.06261 128.8
[M+NH4]+ 174.10371 149.2
[M+K]+ 195.03305 137.7
[M+H-H2O]+ 139.06715 121.2
[M+HCOO]- 201.06809 150.9
[M+CH3COO]- 215.08374 178.0
[M+Na-2H]- 177.04456 132.5
[M]+ 156.06934 129.9
[M]- 156.07044 129.9
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.