CID 818390

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

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N2C=C(C=N2)C=O
InChI
InChI=1S/C10H7N3O3/c14-7-8-5-11-12(6-8)9-2-1-3-10(4-9)13(15)16/h1-7H
InChIKey
RBJGWNCUVCJTRI-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)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 143.4
[M+Na]+ 240.03796 152.0
[M-H]- 216.04146 148.4
[M+NH4]+ 235.08256 160.0
[M+K]+ 256.01190 145.3
[M+H-H2O]+ 200.04600 139.8
[M+HCOO]- 262.04694 168.8
[M+CH3COO]- 276.06259 180.1
[M+Na-2H]- 238.02341 151.3
[M]+ 217.04819 142.9
[M]- 217.04929 142.9
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.