CID 470431

3-(2,6-dichlorophenyl)-4-nitro-1h-pyrrole

Structural Information

Molecular Formula
C10H6Cl2N2O2
SMILES
C1=CC(=C(C(=C1)Cl)C2=CNC=C2[N+](=O)[O-])Cl
InChI
InChI=1S/C10H6Cl2N2O2/c11-7-2-1-3-8(12)10(7)6-4-13-5-9(6)14(15)16/h1-5,13H
InChIKey
SXHJYGDNQXCLAC-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-4-nitro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.98064 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.987916 153.3
[M+Na]+ 278.969858 162.6
[M-H]- 254.973364 156.9
[M+NH4]+ 274.014463 170.3
[M+K]+ 294.943798 152.5
[M+H-H2O]+ 238.977900 152.3
[M+HCOO]- 300.978841 167.9
[M+CH3COO]- 314.994491 183.2
[M+Na-2H]- 276.955306 157.8
[M]+ 255.98009142 153.3
[M]- 255.98118858 153.3
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.