CID 236800

2-bromo-1-(4-chlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C1=CC(=CC=C1C(CBr)O)Cl
InChI
InChI=1S/C8H8BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2
InChIKey
OARLXKUTYSMNRK-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
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

literature stripe

Patent stripe

patents stripe