CID 136562

1,3-diphenoxypropane

Structural Information

Molecular Formula
C15H16O2
SMILES
C1=CC=C(C=C1)OCCCOC2=CC=CC=C2
InChI
InChI=1S/C15H16O2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey
HZIVULLSUOJNPX-UHFFFAOYSA-N
Compound name
3-phenoxypropoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

507
Patents

228.11504 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 151.2
[M+Na]+ 251.10426 157.3
[M-H]- 227.10776 157.3
[M+NH4]+ 246.14886 168.7
[M+K]+ 267.07820 154.2
[M+H-H2O]+ 211.11230 143.4
[M+HCOO]- 273.11324 175.7
[M+CH3COO]- 287.12889 189.2
[M+Na-2H]- 249.08971 158.7
[M]+ 228.11449 153.4
[M]- 228.11559 153.4
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