CID 3742841

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

Structural Information

Molecular Formula
C8H8BrClO2
SMILES
C1=CC(=C(C=C1Cl)Br)OCCO
InChI
InChI=1S/C8H8BrClO2/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5,11H,3-4H2
InChIKey
RDOPLZSKRFLESC-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chlorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.93962 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94690 142.7
[M+Na]+ 272.92884 147.3
[M+NH4]+ 267.97344 148.0
[M+K]+ 288.90278 146.4
[M-H]- 248.93234 143.2
[M+Na-2H]- 270.91429 146.4
[M]+ 249.93907 142.6
[M]- 249.94017 142.6
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

No patent data available for this compound.