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

3
Patents

410.1649 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17218 201.5
[M+Na]+ 433.15412 208.2
[M-H]- 409.15762 210.5
[M+NH4]+ 428.19872 212.6
[M+K]+ 449.12806 202.1
[M+H-H2O]+ 393.16216 191.8
[M+HCOO]- 455.16310 217.6
[M+CH3COO]- 469.17875 224.1
[M+Na-2H]- 431.13957 204.0
[M]+ 410.16435 208.8
[M]- 410.16545 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