CID 84106797

1427013-72-6

Structural Information

Molecular Formula
C6H7FN2O
SMILES
C1=CN(N=C1C=O)CCF
InChI
InChI=1S/C6H7FN2O/c7-2-4-9-3-1-6(5-10)8-9/h1,3,5H,2,4H2
InChIKey
DHVLXVOUHTZLII-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.05424 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06152 128.0
[M+Na]+ 165.04346 138.9
[M+NH4]+ 160.08806 134.9
[M+K]+ 181.01740 134.9
[M-H]- 141.04696 126.4
[M+Na-2H]- 163.02891 133.0
[M]+ 142.05369 128.7
[M]- 142.05479 128.7
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.