CID 9816278

2-(4-phenoxyphenoxy)propan-1-ol

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(CO)OC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H16O3/c1-12(11-16)17-14-7-9-15(10-8-14)18-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3
InChIKey
BBBKSJXFNNKBST-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

244.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.117216 154.8
[M+Na]+ 267.099158 161.0
[M-H]- 243.102664 160.0
[M+NH4]+ 262.143763 171.1
[M+K]+ 283.073098 158.2
[M+H-H2O]+ 227.107200 147.3
[M+HCOO]- 289.108141 177.0
[M+CH3COO]- 303.123791 190.5
[M+Na-2H]- 265.084606 159.9
[M]+ 244.10939142 156.4
[M]- 244.11048858 156.4
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