CID 57842802

2-(4-bromo-2-chlorophenyl)ethanol

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C1=CC(=C(C=C1Br)Cl)CCO
InChI
InChI=1S/C8H8BrClO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2
InChIKey
WAUUNSIHRYKSEY-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

233.94472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 139.5
[M+Na]+ 256.93394 144.5
[M+NH4]+ 251.97854 145.3
[M+K]+ 272.90788 143.2
[M-H]- 232.93744 140.4
[M+Na-2H]- 254.91939 143.7
[M]+ 233.94417 139.6
[M]- 233.94527 139.6
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