CID 109057

1,2-bis(3-hydroxyphenoxy)ethane

Structural Information

Molecular Formula
C14H14O4
SMILES
C1=CC(=CC(=C1)OCCOC2=CC=CC(=C2)O)O
InChI
InChI=1S/C14H14O4/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,15-16H,7-8H2
InChIKey
DBFHCPVZZSVFJL-UHFFFAOYSA-N
Compound name
3-[2-(3-hydroxyphenoxy)ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

292
Patents

246.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 152.9
[M+Na]+ 269.07842 160.2
[M-H]- 245.08192 157.2
[M+NH4]+ 264.12302 168.7
[M+K]+ 285.05236 156.9
[M+H-H2O]+ 229.08646 145.7
[M+HCOO]- 291.08740 175.1
[M+CH3COO]- 305.10305 187.5
[M+Na-2H]- 267.06387 158.7
[M]+ 246.08865 154.8
[M]- 246.08975 154.8
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