CID 63967988

866029-28-9

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

193
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 137.2
[M+Na]+ 240.96348 149.5
[M-H]- 216.96698 141.4
[M+NH4]+ 236.00808 159.0
[M+K]+ 256.93742 137.9
[M+H-H2O]+ 200.97152 137.1
[M+HCOO]- 262.97246 157.2
[M+CH3COO]- 276.98811 183.2
[M+Na-2H]- 238.94893 144.3
[M]+ 217.97371 154.5
[M]- 217.97481 154.5
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