CID 2798846

Maybridge1_001006

Structural Information

Molecular Formula
C26H20Br2O4S
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C26H20Br2O4S/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
GMWLVFQOTXPXOJ-UHFFFAOYSA-N
Compound name
1-bromo-4-[[4-[4-[(4-bromophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.9449 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.95218 197.2
[M+Na]+ 608.93412 205.4
[M-H]- 584.93762 210.1
[M+NH4]+ 603.97872 206.7
[M+K]+ 624.90806 190.9
[M+H-H2O]+ 568.94216 203.4
[M+HCOO]- 630.94310 208.0
[M+CH3COO]- 644.95875 239.9
[M+Na-2H]- 606.91957 201.0
[M]+ 585.94435 234.3
[M]- 585.94545 234.3
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.