CID 15907

2-(4-chlorophenoxy)ethanol

Structural Information

Molecular Formula
C8H9ClO2
SMILES
C1=CC(=CC=C1OCCO)Cl
InChI
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKey
GEGSSUSEWOHAFE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

599
Patents

172.02911 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 131.2
[M+Na]+ 195.01833 140.4
[M-H]- 171.02183 133.7
[M+NH4]+ 190.06293 152.0
[M+K]+ 210.99227 136.8
[M+H-H2O]+ 155.02637 127.0
[M+HCOO]- 217.02731 150.6
[M+CH3COO]- 231.04296 174.7
[M+Na-2H]- 193.00378 138.5
[M]+ 172.02856 134.1
[M]- 172.02966 134.1
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