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]+ 275.12778 162.6
[M+Na]+ 297.10972 167.2
[M-H]- 273.11322 167.1
[M+NH4]+ 292.15432 177.2
[M+K]+ 313.08366 164.8
[M+H-H2O]+ 257.11776 154.4
[M+HCOO]- 319.11870 184.6
[M+CH3COO]- 333.13435 194.4
[M+Na-2H]- 295.09517 167.9
[M]+ 274.11995 165.5
[M]- 274.12105 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