CID 25324469

(1s)-1-(3-bromo-4-fluorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C[C@@H](C1=CC(=C(C=C1)F)Br)O
InChI
InChI=1S/C8H8BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3/t5-/m0/s1
InChIKey
TWIOVUXOLMANJU-YFKPBYRVSA-N
Compound name
(1S)-1-(3-bromo-4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 138.9
[M+Na]+ 240.96348 142.0
[M+NH4]+ 236.00808 143.6
[M+K]+ 256.93742 142.1
[M-H]- 216.96698 138.2
[M+Na-2H]- 238.94893 141.8
[M]+ 217.97371 137.9
[M]- 217.97481 137.9
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