CID 6481345

1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene

Structural Information

Molecular Formula
C26H20Cl2O4S
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H20Cl2O4S/c27-21-5-1-19(2-6-21)17-31-23-9-13-25(14-10-23)33(29,30)26-15-11-24(12-16-26)32-18-20-3-7-22(28)8-4-20/h1-16H,17-18H2
InChIKey
IZFJLXRRDNDSHX-UHFFFAOYSA-N
Compound name
1-chloro-4-[[4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.04593 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.05321 214.9
[M+Na]+ 521.03515 223.8
[M-H]- 497.03865 227.0
[M+NH4]+ 516.07975 223.2
[M+K]+ 537.00909 216.0
[M+H-H2O]+ 481.04319 205.3
[M+HCOO]- 543.04413 222.8
[M+CH3COO]- 557.05978 223.6
[M+Na-2H]- 519.02060 216.1
[M]+ 498.04538 223.8
[M]- 498.04648 223.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.