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 140.6
[M+Na]+ 272.92884 153.8
[M-H]- 248.93234 146.0
[M+NH4]+ 267.97344 162.2
[M+K]+ 288.90278 141.1
[M+H-H2O]+ 232.93688 142.1
[M+HCOO]- 294.93782 157.6
[M+CH3COO]- 308.95347 186.1
[M+Na-2H]- 270.91429 148.1
[M]+ 249.93907 162.2
[M]- 249.94017 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