CID 5272055

Chembl325149

Structural Information

Molecular Formula
C24H35O4P
SMILES
CCCCCCCCCP(=O)(OCC)OCC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C24H35O4P/c1-3-5-6-7-8-9-13-19-29(25,26-4-2)27-21-22-15-14-18-24(20-22)28-23-16-11-10-12-17-23/h10-12,14-18,20H,3-9,13,19,21H2,1-2H3
InChIKey
GCLXEWNXWRZDME-UHFFFAOYSA-N
Compound name
1-[[ethoxy(nonyl)phosphoryl]oxymethyl]-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.2273 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23458 210.0
[M+Na]+ 441.21652 212.5
[M-H]- 417.22002 213.5
[M+NH4]+ 436.26112 220.2
[M+K]+ 457.19046 208.6
[M+H-H2O]+ 401.22456 197.7
[M+HCOO]- 463.22550 235.1
[M+CH3COO]- 477.24115 227.6
[M+Na-2H]- 439.20197 208.6
[M]+ 418.22675 218.3
[M]- 418.22785 218.3
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

No patent data available for this compound.