CID 487299

8-[(2,4-dichlorophenyl)sulfonyl]-5-nitroquinoline

Structural Information

Molecular Formula
C15H8Cl2N2O4S
SMILES
C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H8Cl2N2O4S/c16-9-3-5-13(11(17)8-9)24(22,23)14-6-4-12(19(20)21)10-2-1-7-18-15(10)14/h1-8H
InChIKey
PLPSZECCWWCLNK-UHFFFAOYSA-N
Compound name
8-(2,4-dichlorophenyl)sulfonyl-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.9582 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.96548 179.1
[M+Na]+ 404.94742 188.5
[M-H]- 380.95092 185.3
[M+NH4]+ 399.99202 191.2
[M+K]+ 420.92136 178.2
[M+H-H2O]+ 364.95546 177.1
[M+HCOO]- 426.95640 186.7
[M+CH3COO]- 440.97205 205.9
[M+Na-2H]- 402.93287 186.0
[M]+ 381.95765 184.0
[M]- 381.95875 184.0
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.