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]+ 157.077166 128.2
[M+Na]+ 179.059108 139.6
[M-H]- 155.062614 128.8
[M+NH4]+ 174.103713 149.2
[M+K]+ 195.033048 137.7
[M+H-H2O]+ 139.067150 121.2
[M+HCOO]- 201.068091 150.9
[M+CH3COO]- 215.083741 178.0
[M+Na-2H]- 177.044556 132.5
[M]+ 156.06934142 129.9
[M]- 156.07043858 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.