CID 272431

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

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8H
InChIKey
PWCFKNYSCGRNRW-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

111
Patents

188.05858 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 137.5
[M+Na]+ 211.047798 145.1
[M-H]- 187.051304 143.4
[M+NH4]+ 206.092403 156.5
[M+K]+ 227.021738 138.6
[M+H-H2O]+ 171.055840 134.7
[M+HCOO]- 233.056781 163.8
[M+CH3COO]- 247.072431 175.2
[M+Na-2H]- 209.033246 145.6
[M]+ 188.05803142 135.5
[M]- 188.05912858 135.5
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

patents stripe