CID 2763959

1-bromo-4-(tert-butoxy)benzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)(C)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
InChIKey
QIWQHUCUWNGYDZ-UHFFFAOYSA-N
Compound name
1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

228.01498 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 141.7
[M+Na]+ 251.00420 145.6
[M+NH4]+ 246.04880 147.2
[M+K]+ 266.97814 145.3
[M-H]- 227.00770 142.5
[M+Na-2H]- 248.98965 146.1
[M]+ 228.01443 141.5
[M]- 228.01553 141.5
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