CID 68928495

1-(2-bromoethyl)-4-(tert-butoxy)benzene

Structural Information

Molecular Formula
C12H17BrO
SMILES
CC(C)(C)OC1=CC=C(C=C1)CCBr
InChI
InChI=1S/C12H17BrO/c1-12(2,3)14-11-6-4-10(5-7-11)8-9-13/h4-7H,8-9H2,1-3H3
InChIKey
GKGNCUZYCWSLPM-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

256.0463 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05358 150.8
[M+Na]+ 279.03552 154.3
[M+NH4]+ 274.08012 156.0
[M+K]+ 295.00946 153.5
[M-H]- 255.03902 151.5
[M+Na-2H]- 277.02097 154.6
[M]+ 256.04575 150.5
[M]- 256.04685 150.5
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