CID 3020889

2-phenoxy-1-(2-phenoxyethoxy)ethanol

Structural Information

Molecular Formula
C16H18O4
SMILES
C1=CC=C(C=C1)OCCOC(COC2=CC=CC=C2)O
InChI
InChI=1S/C16H18O4/c17-16(13-20-15-9-5-2-6-10-15)19-12-11-18-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKey
HXLDACPZFFAQJP-UHFFFAOYSA-N
Compound name
2-phenoxy-1-(2-phenoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

274.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.127776 162.6
[M+Na]+ 297.109718 167.2
[M-H]- 273.113224 167.1
[M+NH4]+ 292.154323 177.2
[M+K]+ 313.083658 164.8
[M+H-H2O]+ 257.117760 154.4
[M+HCOO]- 319.118701 184.6
[M+CH3COO]- 333.134351 194.4
[M+Na-2H]- 295.095166 167.9
[M]+ 274.11995142 165.5
[M]- 274.12104858 165.5
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