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]+ 248.99210 146.0
[M+Na]+ 270.97404 156.6
[M-H]- 246.97754 149.6
[M+NH4]+ 266.01864 166.2
[M+K]+ 286.94798 145.7
[M+H-H2O]+ 230.98208 145.3
[M+HCOO]- 292.98302 164.9
[M+CH3COO]- 306.99867 187.6
[M+Na-2H]- 268.95949 151.9
[M]+ 247.98427 164.0
[M]- 247.98537 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.