CID 16076985

1-[[ethoxy(undecyl)phosphoryl]oxymethyl]-3-phenoxy-benzene

Structural Information

Molecular Formula
C26H39O4P
SMILES
CCCCCCCCCCCP(=O)(OCC)OCC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C26H39O4P/c1-3-5-6-7-8-9-10-11-15-21-31(27,28-4-2)29-23-24-17-16-20-26(22-24)30-25-18-13-12-14-19-25/h12-14,16-20,22H,3-11,15,21,23H2,1-2H3
InChIKey
KSYIETOWQGKSQO-UHFFFAOYSA-N
Compound name
1-[[ethoxy(undecyl)phosphoryl]oxymethyl]-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.2586 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.26588 219.2
[M+Na]+ 469.24782 220.9
[M-H]- 445.25132 222.3
[M+NH4]+ 464.29242 228.2
[M+K]+ 485.22176 216.4
[M+H-H2O]+ 429.25586 206.5
[M+HCOO]- 491.25680 243.6
[M+CH3COO]- 505.27245 233.5
[M+Na-2H]- 467.23327 216.7
[M]+ 446.25805 228.2
[M]- 446.25915 228.2
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

No patent data available for this compound.