CID 43121470

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

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=C(C=NN3)C=O
InChI
InChI=1S/C12H8N2O2/c15-7-9-6-13-14-12(9)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14)
InChIKey
GUUKJWRMPVVNOL-UHFFFAOYSA-N
Compound name
5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.065856 141.9
[M+Na]+ 235.047798 153.4
[M-H]- 211.051304 147.7
[M+NH4]+ 230.092403 160.7
[M+K]+ 251.021738 150.0
[M+H-H2O]+ 195.055840 135.1
[M+HCOO]- 257.056781 165.4
[M+CH3COO]- 271.072431 156.2
[M+Na-2H]- 233.033246 148.2
[M]+ 212.05803142 145.0
[M]- 212.05912858 145.0
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.