CID 99168

2-(4-bromophenoxy)ethanol

Structural Information

Molecular Formula
C8H9BrO2
SMILES
C1=CC(=CC=C1OCCO)Br
InChI
InChI=1S/C8H9BrO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKey
QYIOGYCRGNHDNK-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

668
Patents

215.97859 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 136.8
[M+Na]+ 238.96781 148.1
[M-H]- 214.97131 141.9
[M+NH4]+ 234.01241 158.4
[M+K]+ 254.94175 137.5
[M+H-H2O]+ 198.97585 137.2
[M+HCOO]- 260.97679 158.0
[M+CH3COO]- 274.99244 181.5
[M+Na-2H]- 236.95326 145.2
[M]+ 215.97804 156.2
[M]- 215.97914 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe