CID 470429

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.98064 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98792 153.3
[M+Na]+ 278.96986 162.6
[M-H]- 254.97336 156.9
[M+NH4]+ 274.01446 170.3
[M+K]+ 294.94380 152.5
[M+H-H2O]+ 238.97790 152.3
[M+HCOO]- 300.97884 167.9
[M+CH3COO]- 314.99449 183.2
[M+Na-2H]- 276.95531 157.8
[M]+ 255.98009 153.3
[M]- 255.98119 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.