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]+ 250.946896 140.6
[M+Na]+ 272.928838 153.8
[M-H]- 248.932344 146.0
[M+NH4]+ 267.973443 162.2
[M+K]+ 288.902778 141.1
[M+H-H2O]+ 232.936880 142.1
[M+HCOO]- 294.937821 157.6
[M+CH3COO]- 308.953471 186.1
[M+Na-2H]- 270.914286 148.1
[M]+ 249.93907142 162.2
[M]- 249.94016858 162.2
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