CID 177798360

3-bromo-2-(4-fluorophenoxy)propan-1-ol

Structural Information

Molecular Formula
C9H10BrFO2
SMILES
C1=CC(=CC=C1OC(CO)CBr)F
InChI
InChI=1S/C9H10BrFO2/c10-5-9(6-12)13-8-3-1-7(11)2-4-8/h1-4,9,12H,5-6H2
InChIKey
LJUULZRQVOZWFI-UHFFFAOYSA-N
Compound name
3-bromo-2-(4-fluorophenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.98482 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.992096 146.0
[M+Na]+ 270.974038 156.6
[M-H]- 246.977544 149.6
[M+NH4]+ 266.018643 166.2
[M+K]+ 286.947978 145.7
[M+H-H2O]+ 230.982080 145.3
[M+HCOO]- 292.983021 164.9
[M+CH3COO]- 306.998671 187.6
[M+Na-2H]- 268.959486 151.9
[M]+ 247.98427142 164.0
[M]- 247.98536858 164.0
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.