CID 15072385

1-bromo-4-(2-methoxypropan-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

228.01498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 143.1
[M+Na]+ 251.004198 154.7
[M-H]- 227.007704 149.7
[M+NH4]+ 246.048803 165.3
[M+K]+ 266.978138 144.4
[M+H-H2O]+ 211.012240 143.9
[M+HCOO]- 273.013181 163.6
[M+CH3COO]- 287.028831 188.1
[M+Na-2H]- 248.989646 151.6
[M]+ 228.01443142 163.2
[M]- 228.01552858 163.2
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