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]+ 213.06586 141.9
[M+Na]+ 235.04780 153.4
[M-H]- 211.05130 147.7
[M+NH4]+ 230.09240 160.7
[M+K]+ 251.02174 150.0
[M+H-H2O]+ 195.05584 135.1
[M+HCOO]- 257.05678 165.4
[M+CH3COO]- 271.07243 156.2
[M+Na-2H]- 233.03325 148.2
[M]+ 212.05803 145.0
[M]- 212.05913 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.