CID 52694

(1s)-2-bromo-1-phenylethanol

Structural Information

Molecular Formula
C8H9BrO
SMILES
C1=CC=C(C=C1)[C@@H](CBr)O
InChI
InChI=1S/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m1/s1
InChIKey
DAHHEUQBMDBSLO-MRVPVSSYSA-N
Compound name
(1S)-2-bromo-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

166
Patents

199.98367 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 133.4
[M+Na]+ 222.97289 136.7
[M+NH4]+ 218.01749 138.9
[M+K]+ 238.94683 136.6
[M-H]- 198.97639 134.1
[M+Na-2H]- 220.95834 137.7
[M]+ 199.98312 132.9
[M]- 199.98422 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe