CID 3067210

80854-09-7

Structural Information

Molecular Formula
C25H27ClO3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OCCCl
InChI
InChI=1S/C25H27ClO3/c1-25(2,21-11-13-22(14-12-21)28-16-15-26)19-27-18-20-7-6-10-24(17-20)29-23-8-4-3-5-9-23/h3-14,17H,15-16,18-19H2,1-2H3
InChIKey
VMOHIUBVJGXDRY-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.1649 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17218 201.6
[M+Na]+ 433.15412 207.4
[M-H]- 409.15762 210.2
[M+NH4]+ 428.19872 212.4
[M+K]+ 449.12806 201.1
[M+H-H2O]+ 393.16216 191.7
[M+HCOO]- 455.16310 217.7
[M+CH3COO]- 469.17875 222.9
[M+Na-2H]- 431.13957 204.8
[M]+ 410.16435 208.4
[M]- 410.16545 208.4
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