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]+ 218.056016 143.4
[M+Na]+ 240.037958 152.0
[M-H]- 216.041464 148.4
[M+NH4]+ 235.082563 160.0
[M+K]+ 256.011898 145.3
[M+H-H2O]+ 200.046000 139.8
[M+HCOO]- 262.046941 168.8
[M+CH3COO]- 276.062591 180.1
[M+Na-2H]- 238.023406 151.3
[M]+ 217.04819142 142.9
[M]- 217.04928858 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.