CID 564844

1-(4-nitrophenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CN(C(=C1)C=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-8H
InChIKey
HAWFRXCIWBFGHH-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

216.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 144.1
[M+Na]+ 239.04272 158.1
[M+NH4]+ 234.08732 152.0
[M+K]+ 255.01666 156.1
[M-H]- 215.04622 148.3
[M+Na-2H]- 237.02817 152.0
[M]+ 216.05295 147.1
[M]- 216.05405 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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