CID 20321330

1-(4-bromophenoxy)-4-tert-butylbenzene

Structural Information

Molecular Formula
C16H17BrO
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H17BrO/c1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15/h4-11H,1-3H3
InChIKey
JKJAXUZDFRSBML-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-tert-butylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

304.0463 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05358 164.3
[M+Na]+ 327.03552 175.3
[M-H]- 303.03902 173.6
[M+NH4]+ 322.08012 183.4
[M+K]+ 343.00946 163.8
[M+H-H2O]+ 287.04356 163.8
[M+HCOO]- 349.04450 184.2
[M+CH3COO]- 363.06015 201.3
[M+Na-2H]- 325.02097 171.2
[M]+ 304.04575 184.3
[M]- 304.04685 184.3
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