CID 10229498

315224-26-1

Structural Information

Molecular Formula
C21H12Cl4N2O3S
SMILES
C1=CC=C2C(=C1)C=C(C=N2)OC3=C(C=C(C=C3Cl)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
InChIKey
NMRWDFUZLLQSBN-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

1884
Patents

511.93228 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.93956 206.0
[M+Na]+ 534.92150 216.8
[M-H]- 510.92500 212.6
[M+NH4]+ 529.96610 214.2
[M+K]+ 550.89544 210.1
[M+H-H2O]+ 494.92954 198.9
[M+HCOO]- 556.93048 202.9
[M+CH3COO]- 570.94613 213.6
[M+Na-2H]- 532.90695 207.8
[M]+ 511.93173 213.8
[M]- 511.93283 213.8
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