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

6
Patents

228.01498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 144.4
[M+Na]+ 251.00420 154.5
[M-H]- 227.00770 149.4
[M+NH4]+ 246.04880 165.5
[M+K]+ 266.97814 143.7
[M+H-H2O]+ 211.01224 144.8
[M+HCOO]- 273.01318 162.9
[M+CH3COO]- 287.02883 186.9
[M+Na-2H]- 248.98965 149.3
[M]+ 228.01443 161.9
[M]- 228.01553 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