CID 43141299

3-(1-benzofuran-2-yl)-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CN1C=C(C(=N1)C2=CC3=CC=CC=C3O2)C=O
InChI
InChI=1S/C13H10N2O2/c1-15-7-10(8-16)13(14-15)12-6-9-4-2-3-5-11(9)17-12/h2-8H,1H3
InChIKey
FIJDQZJKNTVBAU-UHFFFAOYSA-N
Compound name
3-(1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 146.7
[M+Na]+ 249.06345 162.0
[M+NH4]+ 244.10805 155.2
[M+K]+ 265.03739 159.0
[M-H]- 225.06695 151.0
[M+Na-2H]- 247.04890 154.2
[M]+ 226.07368 150.2
[M]- 226.07478 150.2
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.