CID 79036939

(1r)-1-(3-bromo-5-fluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C[C@H](C1=CC(=CC(=C1)Br)F)O
InChI
InChI=1S/C8H8BrFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3/t5-/m1/s1
InChIKey
RMICUVVTYFJRJY-RXMQYKEDSA-N
Compound name
(1R)-1-(3-bromo-5-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.97426 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 137.7
[M+Na]+ 240.96348 149.7
[M-H]- 216.96698 142.0
[M+NH4]+ 236.00808 159.5
[M+K]+ 256.93742 138.6
[M+H-H2O]+ 200.97152 137.7
[M+HCOO]- 262.97246 156.8
[M+CH3COO]- 276.98811 184.0
[M+Na-2H]- 238.94893 143.6
[M]+ 217.97371 154.4
[M]- 217.97481 154.4
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