CID 61725787

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

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)C(C1=CC=CC=C1Br)O
InChI
InChI=1S/C10H13BrO/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-7,10,12H,1-2H3
InChIKey
VRLXHJJRMODGFC-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 144.4
[M+Na]+ 251.004198 154.5
[M-H]- 227.007704 149.4
[M+NH4]+ 246.048803 165.5
[M+K]+ 266.978138 143.7
[M+H-H2O]+ 211.012240 144.8
[M+HCOO]- 273.013181 162.9
[M+CH3COO]- 287.028831 186.9
[M+Na-2H]- 248.989646 149.3
[M]+ 228.01443142 161.9
[M]- 228.01552858 161.9
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