CID 57842802

916516-90-0

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

38
Patents

233.94472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 138.1
[M+Na]+ 256.933938 151.4
[M-H]- 232.937444 143.5
[M+NH4]+ 251.978543 160.3
[M+K]+ 272.907878 138.3
[M+H-H2O]+ 216.941980 139.8
[M+HCOO]- 278.942921 154.8
[M+CH3COO]- 292.958571 184.3
[M+Na-2H]- 254.919386 145.6
[M]+ 233.94417142 158.3
[M]- 233.94526858 158.3
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