CID 5171332

20115-81-5

Structural Information

Molecular Formula
C14H14O4
SMILES
C1=CC=C(C(=C1)O)OCCOC2=CC=CC=C2O
InChI
InChI=1S/C14H14O4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8,15-16H,9-10H2
InChIKey
PRYNAEBLJBDWPF-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyphenoxy)ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

246.0892 Da
Monoisotopic Mass

2.8
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