CID 3067198

Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-ethoxyphenoxy)-

Structural Information

Molecular Formula
C25H27ClO3
SMILES
CCOC1=CC=C(C=C1)OC2=CC=CC(=C2)COCC(C)(C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C25H27ClO3/c1-4-28-22-12-14-23(15-13-22)29-24-7-5-6-19(16-24)17-27-18-25(2,3)20-8-10-21(26)11-9-20/h5-16H,4,17-18H2,1-3H3
InChIKey
LBIMKPFYSGINCA-UHFFFAOYSA-N
Compound name
1-chloro-4-[1-[[3-(4-ethoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

410.1649 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.172176 201.5
[M+Na]+ 433.154118 208.2
[M-H]- 409.157624 210.5
[M+NH4]+ 428.198723 212.6
[M+K]+ 449.128058 202.1
[M+H-H2O]+ 393.162160 191.8
[M+HCOO]- 455.163101 217.6
[M+CH3COO]- 469.178751 224.1
[M+Na-2H]- 431.139566 204.0
[M]+ 410.16435142 208.8
[M]- 410.16544858 208.8
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

patents stripe