CID 1417885

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

Structural Information

Molecular Formula
C10H7FN2O
SMILES
C1=CC(=CC(=C1)F)C2=C(C=NN2)C=O
InChI
InChI=1S/C10H7FN2O/c11-9-3-1-2-7(4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChIKey
WXVQLDOGLPCKKH-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.05424 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06152 136.6
[M+Na]+ 213.04346 146.7
[M-H]- 189.04696 138.7
[M+NH4]+ 208.08806 154.7
[M+K]+ 229.01740 142.2
[M+H-H2O]+ 173.05150 128.2
[M+HCOO]- 235.05244 158.4
[M+CH3COO]- 249.06809 178.8
[M+Na-2H]- 211.02891 141.8
[M]+ 190.05369 134.7
[M]- 190.05479 134.7
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

patents stripe