CID 3067147

3-(4-methoxyphenoxy)benzyl 2-(3,4-dichlorophenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C24H24Cl2O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H24Cl2O3/c1-24(2,18-7-12-22(25)23(26)14-18)16-28-15-17-5-4-6-21(13-17)29-20-10-8-19(27-3)9-11-20/h4-14H,15-16H2,1-3H3
InChIKey
PVHMRBBXXWLIMT-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.11026 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11754 202.2
[M+Na]+ 453.09948 210.6
[M-H]- 429.10298 211.0
[M+NH4]+ 448.14408 213.4
[M+K]+ 469.07342 203.8
[M+H-H2O]+ 413.10752 193.4
[M+HCOO]- 475.10846 213.6
[M+CH3COO]- 489.12411 226.2
[M+Na-2H]- 451.08493 203.8
[M]+ 430.10971 211.0
[M]- 430.11081 211.0
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