CID 3067128

80843-73-8

Structural Information

Molecular Formula
C23H21BrCl2O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H21BrCl2O2/c1-23(2,17-6-11-21(25)22(26)13-17)15-27-14-16-4-3-5-20(12-16)28-19-9-7-18(24)8-10-19/h3-13H,14-15H2,1-2H3
InChIKey
YBSTZCZAFWCYND-UHFFFAOYSA-N
Compound name
4-[1-[[3-(4-bromophenoxy)phenyl]methoxy]-2-methylpropan-2-yl]-1,2-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

478.0102 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.01748 203.4
[M+Na]+ 500.99942 215.2
[M-H]- 477.00292 214.4
[M+NH4]+ 496.04402 216.9
[M+K]+ 516.97336 200.4
[M+H-H2O]+ 461.00746 201.8
[M+HCOO]- 523.00840 213.0
[M+CH3COO]- 537.02405 228.2
[M+Na-2H]- 498.98487 206.4
[M]+ 478.00965 228.3
[M]- 478.01075 228.3
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