CID 83787

Bis(phenoxyethoxy)methane

Structural Information

Molecular Formula
C17H20O4
SMILES
C1=CC=C(C=C1)OCCOCOCCOC2=CC=CC=C2
InChI
InChI=1S/C17H20O4/c1-3-7-16(8-4-1)20-13-11-18-15-19-12-14-21-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKey
GKJNKWKTBXIQDE-UHFFFAOYSA-N
Compound name
2-(2-phenoxyethoxymethoxy)ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

288.13617 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 166.6
[M+Na]+ 311.12539 171.5
[M-H]- 287.12889 172.2
[M+NH4]+ 306.16999 181.4
[M+K]+ 327.09933 169.1
[M+H-H2O]+ 271.13343 157.7
[M+HCOO]- 333.13437 190.7
[M+CH3COO]- 347.15002 199.1
[M+Na-2H]- 309.11084 173.0
[M]+ 288.13562 172.3
[M]- 288.13672 172.3
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