CID 63967988

2-(2-bromo-5-fluorophenyl)ethanol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C1=CC(=C(C=C1F)CCO)Br
InChI
InChI=1S/C8H8BrFO/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKey
WCHMYCOJRHCHAK-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

217.97426 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 140.0
[M+Na]+ 240.96348 143.5
[M+NH4]+ 236.00808 144.8
[M+K]+ 256.93742 142.7
[M-H]- 216.96698 139.5
[M+Na-2H]- 238.94893 143.2
[M]+ 217.97371 139.2
[M]- 217.97481 139.2
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