CID 88749

20994-26-7

Structural Information

Molecular Formula
C16H18O4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)OCCO)OCCO
InChI
InChI=1S/C16H18O4/c17-9-11-19-15-5-1-13(2-6-15)14-3-7-16(8-4-14)20-12-10-18/h1-8,17-18H,9-12H2
InChIKey
XUWHBHOYULRMIA-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-hydroxyethoxy)phenyl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

701
Patents

274.1205 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.127776 162.1
[M+Na]+ 297.109718 168.4
[M-H]- 273.113224 166.0
[M+NH4]+ 292.154323 176.7
[M+K]+ 313.083658 164.7
[M+H-H2O]+ 257.117760 154.4
[M+HCOO]- 319.118701 183.6
[M+CH3COO]- 333.134351 193.5
[M+Na-2H]- 295.095166 166.7
[M]+ 274.11995142 164.6
[M]- 274.12104858 164.6
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