CID 3067169

3-phenoxybenzyl 2-(4-iodophenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C23H23IO2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)I
InChI
InChI=1S/C23H23IO2/c1-23(2,19-11-13-20(24)14-12-19)17-25-16-18-7-6-10-22(15-18)26-21-8-4-3-5-9-21/h3-15H,16-17H2,1-2H3
InChIKey
JYIULQQFFPFBIN-UHFFFAOYSA-N
Compound name
1-iodo-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

458.07428 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08156 198.9
[M+Na]+ 481.06350 197.4
[M-H]- 457.06700 199.8
[M+NH4]+ 476.10810 206.4
[M+K]+ 497.03744 198.1
[M+H-H2O]+ 441.07154 185.3
[M+HCOO]- 503.07248 214.4
[M+CH3COO]- 517.08813 220.8
[M+Na-2H]- 479.04895 191.0
[M]+ 458.07373 198.1
[M]- 458.07483 198.1
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

patents stripe