CID 3067148

Benzene, 1-(4-bromophenoxy)-3-((2-(3-(trifluoromethyl)phenyl)-2-methylpropoxy)methyl)-

Structural Information

Molecular Formula
C24H22BrF3O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C24H22BrF3O2/c1-23(2,18-6-4-7-19(14-18)24(26,27)28)16-29-15-17-5-3-8-22(13-17)30-21-11-9-20(25)10-12-21/h3-14H,15-16H2,1-2H3
InChIKey
RRWZLZBIAALENS-UHFFFAOYSA-N
Compound name
1-bromo-4-[3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

478.07553 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.08281 213.5
[M+Na]+ 501.06475 222.8
[M-H]- 477.06825 221.0
[M+NH4]+ 496.10935 224.9
[M+K]+ 517.03869 209.6
[M+H-H2O]+ 461.07279 208.1
[M+HCOO]- 523.07373 227.0
[M+CH3COO]- 537.08938 230.3
[M+Na-2H]- 499.05020 215.9
[M]+ 478.07498 231.0
[M]- 478.07608 231.0
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