CID 145876191

(1r)-1-(3-bromophenyl)-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C1=CC(=CC(=C1)Br)[C@H](CF)O
InChI
InChI=1S/C8H8BrFO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5H2/t8-/m0/s1
InChIKey
LSBQSNZQLODXPJ-QMMMGPOBSA-N
Compound name
(1R)-1-(3-bromophenyl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.97426 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 138.5
[M+Na]+ 240.96348 149.7
[M-H]- 216.96698 142.4
[M+NH4]+ 236.00808 160.0
[M+K]+ 256.93742 138.5
[M+H-H2O]+ 200.97152 138.3
[M+HCOO]- 262.97246 157.6
[M+CH3COO]- 276.98811 182.9
[M+Na-2H]- 238.94893 145.0
[M]+ 217.97371 154.8
[M]- 217.97481 154.8
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.