CID 12086409

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

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C=O)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O3/c14-6-8-5-11-12-10(8)7-1-3-9(4-2-7)13(15)16/h1-6H,(H,11,12)
InChIKey
RSIXQGMNFIJUOU-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.04874 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05602 143.3
[M+Na]+ 240.03796 151.5
[M-H]- 216.04146 147.0
[M+NH4]+ 235.08256 159.2
[M+K]+ 256.01190 143.8
[M+H-H2O]+ 200.04600 140.0
[M+HCOO]- 262.04694 167.2
[M+CH3COO]- 276.06259 177.3
[M+Na-2H]- 238.02341 150.8
[M]+ 217.04819 140.9
[M]- 217.04929 140.9
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.