CID 40428278

1-(3-fluorophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H7FN2O
SMILES
C1=CC(=CC(=C1)F)N2C=C(C=N2)C=O
InChI
InChI=1S/C10H7FN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
FKZJADFSOBJBNG-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

190.05424 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06152 136.0
[M+Na]+ 213.04346 146.5
[M-H]- 189.04696 139.5
[M+NH4]+ 208.08806 154.8
[M+K]+ 229.01740 143.0
[M+H-H2O]+ 173.05150 127.3
[M+HCOO]- 235.05244 159.3
[M+CH3COO]- 249.06809 181.4
[M+Na-2H]- 211.02891 141.6
[M]+ 190.05369 135.9
[M]- 190.05479 135.9
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

patents stripe