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]+ 231.001526 142.9
[M+Na]+ 252.983468 152.6
[M-H]- 228.986974 147.5
[M+NH4]+ 248.028073 163.6
[M+K]+ 268.957408 142.1
[M+H-H2O]+ 212.991510 143.0
[M+HCOO]- 274.992451 162.8
[M+CH3COO]- 289.008101 184.0
[M+Na-2H]- 250.968916 150.1
[M]+ 229.99370142 161.6
[M]- 229.99479858 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.