CID 84933

2-(2-chlorophenoxy)ethanol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

163
Patents

172.02911 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe