CID 3067113

3-(4-bromophenoxy)benzyl 2-(4-chlorophenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C23H22BrClO2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H22BrClO2/c1-23(2,18-6-10-20(25)11-7-18)16-26-15-17-4-3-5-22(14-17)27-21-12-8-19(24)9-13-21/h3-14H,15-16H2,1-2H3
InChIKey
NVLYTIZCYSRSIQ-UHFFFAOYSA-N
Compound name
1-bromo-4-[3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

444.04916 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.05644 199.9
[M+Na]+ 467.03838 210.2
[M-H]- 443.04188 211.2
[M+NH4]+ 462.08298 213.8
[M+K]+ 483.01232 196.4
[M+H-H2O]+ 427.04642 197.7
[M+HCOO]- 489.04736 214.2
[M+CH3COO]- 503.06301 223.6
[M+Na-2H]- 465.02383 204.0
[M]+ 444.04861 223.2
[M]- 444.04971 223.2
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