CID 6481347

1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene

Structural Information

Molecular Formula
C26H20F2O4S
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)F
InChI
InChI=1S/C26H20F2O4S/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
RPJAKTUUJBBUKA-UHFFFAOYSA-N
Compound name
1-fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.10504 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.11232 211.1
[M+Na]+ 489.09426 219.1
[M-H]- 465.09776 221.0
[M+NH4]+ 484.13886 218.8
[M+K]+ 505.06820 211.9
[M+H-H2O]+ 449.10230 198.1
[M+HCOO]- 511.10324 226.2
[M+CH3COO]- 525.11889 230.3
[M+Na-2H]- 487.07971 212.0
[M]+ 466.10449 213.9
[M]- 466.10559 213.9
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.