CID 178199948

3-bromo-2-phenoxypropan-1-ol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
C1=CC=C(C=C1)OC(CO)CBr
InChI
InChI=1S/C9H11BrO2/c10-6-9(7-11)12-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey
XLUKLYAGRBTHPX-UHFFFAOYSA-N
Compound name
3-bromo-2-phenoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99425 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 142.9
[M+Na]+ 252.98347 152.6
[M-H]- 228.98697 147.5
[M+NH4]+ 248.02807 163.6
[M+K]+ 268.95741 142.1
[M+H-H2O]+ 212.99151 143.0
[M+HCOO]- 274.99245 162.8
[M+CH3COO]- 289.00810 184.0
[M+Na-2H]- 250.96892 150.1
[M]+ 229.99370 161.6
[M]- 229.99480 161.6
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

No patent data available for this compound.