CID 12805124

2-(4-bromophenyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)(CO)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey
HHHZLLZSLJJFER-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

228.01498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 144.2
[M+Na]+ 251.004198 155.3
[M-H]- 227.007704 149.4
[M+NH4]+ 246.048803 165.6
[M+K]+ 266.978138 144.0
[M+H-H2O]+ 211.012240 145.1
[M+HCOO]- 273.013181 163.2
[M+CH3COO]- 287.028831 185.6
[M+Na-2H]- 248.989646 152.1
[M]+ 228.01443142 162.5
[M]- 228.01552858 162.5
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