CID 3067604

81762-06-3

Structural Information

Molecular Formula
C23H21Cl3O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC(=CC=C2)Cl)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H21Cl3O2/c1-23(2,17-9-10-21(25)22(26)12-17)15-27-14-16-5-3-7-19(11-16)28-20-8-4-6-18(24)13-20/h3-13H,14-15H2,1-2H3
InChIKey
WDZFANRCVHDCLN-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-[1-[[3-(3-chlorophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.0607 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.06798 200.0
[M+Na]+ 457.04992 209.1
[M-H]- 433.05342 207.5
[M+NH4]+ 452.09452 211.3
[M+K]+ 473.02386 201.1
[M+H-H2O]+ 417.05796 192.0
[M+HCOO]- 479.05890 206.2
[M+CH3COO]- 493.07455 225.5
[M+Na-2H]- 455.03537 201.0
[M]+ 434.06015 207.5
[M]- 434.06125 207.5
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