CID 15579196

1-bromo-2-(tert-butoxy)benzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)(C)OC1=CC=CC=C1Br
InChI
InChI=1S/C10H13BrO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7H,1-3H3
InChIKey
JBSSNSQYEIJWJT-UHFFFAOYSA-N
Compound name
1-bromo-2-[(2-methylpropan-2-yl)oxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

228.01498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 143.3
[M+Na]+ 251.00420 154.9
[M-H]- 227.00770 149.9
[M+NH4]+ 246.04880 165.5
[M+K]+ 266.97814 144.7
[M+H-H2O]+ 211.01224 144.1
[M+HCOO]- 273.01318 163.7
[M+CH3COO]- 287.02883 187.5
[M+Na-2H]- 248.98965 151.7
[M]+ 228.01443 163.3
[M]- 228.01553 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe