CID 470427

3-(4-chlorophenyl)-4-nitro-1h-pyrrole

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC(=CC=C1C2=CNC=C2[N+](=O)[O-])Cl
InChI
InChI=1S/C10H7ClN2O2/c11-8-3-1-7(2-4-8)9-5-12-6-10(9)13(14)15/h1-6,12H
InChIKey
XBTKRZHYEMVQOD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4-nitro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.0196 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 145.4
[M+Na]+ 245.00882 153.9
[M-H]- 221.01232 149.8
[M+NH4]+ 240.05342 163.3
[M+K]+ 260.98276 144.9
[M+H-H2O]+ 205.01686 143.7
[M+HCOO]- 267.01780 165.5
[M+CH3COO]- 281.03345 177.3
[M+Na-2H]- 242.99427 151.7
[M]+ 222.01905 144.0
[M]- 222.02015 144.0
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

No patent data available for this compound.