CID 25324198

(1s)-2-bromo-1-(2-chlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C1=CC=C(C(=C1)[C@@H](CBr)O)Cl
InChI
InChI=1S/C8H8BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m1/s1
InChIKey
ZASGHPFWAAEKAD-MRVPVSSYSA-N
Compound name
(1S)-2-bromo-1-(2-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 139.1
[M+Na]+ 256.933938 151.3
[M-H]- 232.937444 144.2
[M+NH4]+ 251.978543 161.0
[M+K]+ 272.907878 138.5
[M+H-H2O]+ 216.941980 140.7
[M+HCOO]- 278.942921 154.9
[M+CH3COO]- 292.958571 184.0
[M+Na-2H]- 254.919386 146.1
[M]+ 233.94417142 158.4
[M]- 233.94526858 158.4
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

No patent data available for this compound.