CID 3067123

3-(4-bromophenoxy)benzyl 2-(4-fluorophenyl)-2-methylbutyl ether

Structural Information

Molecular Formula
C24H24BrFO2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H24BrFO2/c1-3-24(2,19-7-11-21(26)12-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-9-20(25)10-14-22/h4-15H,3,16-17H2,1-2H3
InChIKey
UOAUJKAZUOFEFI-UHFFFAOYSA-N
Compound name
1-bromo-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

442.09436 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10164 203.8
[M+Na]+ 465.08358 212.6
[M-H]- 441.08708 213.7
[M+NH4]+ 460.12818 216.7
[M+K]+ 481.05752 199.8
[M+H-H2O]+ 425.09162 199.9
[M+HCOO]- 487.09256 221.0
[M+CH3COO]- 501.10821 225.5
[M+Na-2H]- 463.06903 206.9
[M]+ 442.09381 224.1
[M]- 442.09491 224.1
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