CID 605439

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

Structural Information

Molecular Formula
C10H7FN2O
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C=O)F
InChI
InChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChIKey
CMXTUUXWJBLVEH-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

59
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 139.9
[M+Na]+ 213.04346 152.9
[M+NH4]+ 208.08806 147.2
[M+K]+ 229.01740 148.1
[M-H]- 189.04696 140.7
[M+Na-2H]- 211.02891 147.3
[M]+ 190.05369 141.8
[M]- 190.05479 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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