CID 90486421

2-((3-bromobenzyl)oxy)-1,3-diisopropylbenzene

Structural Information

Molecular Formula
C19H23BrO
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OCC2=CC(=CC=C2)Br
InChI
InChI=1S/C19H23BrO/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-12-15-7-5-8-16(20)11-15/h5-11,13-14H,12H2,1-4H3
InChIKey
PUEUTEXVWCKLIM-UHFFFAOYSA-N
Compound name
2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09323 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10051 177.3
[M+Na]+ 369.08245 186.6
[M-H]- 345.08595 186.1
[M+NH4]+ 364.12705 194.6
[M+K]+ 385.05639 174.9
[M+H-H2O]+ 329.09049 175.8
[M+HCOO]- 391.09143 195.6
[M+CH3COO]- 405.10708 212.5
[M+Na-2H]- 367.06790 178.9
[M]+ 346.09268 197.8
[M]- 346.09378 197.8
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

No patent data available for this compound.