CID 470425

3-(2-chlorophenyl)-4-nitro-1h-pyrrole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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

patents stripe