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

184
Patents

172.02911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.036386 131.2
[M+Na]+ 195.018328 140.4
[M-H]- 171.021834 133.7
[M+NH4]+ 190.062933 152.0
[M+K]+ 210.992268 136.8
[M+H-H2O]+ 155.026370 127.0
[M+HCOO]- 217.027311 150.6
[M+CH3COO]- 231.042961 174.7
[M+Na-2H]- 193.003776 138.5
[M]+ 172.02856142 134.1
[M]- 172.02965858 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