CID 76392

3015-77-8

Structural Information

Molecular Formula
C15H24NO5P
SMILES
CCCCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C15H24NO5P/c1-3-5-6-7-8-13-22(19,20-4-2)21-15-11-9-14(10-12-15)16(17)18/h9-12H,3-8,13H2,1-2H3
InChIKey
HDCSKOHTFSPXEZ-UHFFFAOYSA-N
Compound name
1-[ethoxy(heptyl)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.13922 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14650 180.1
[M+Na]+ 352.12844 184.5
[M-H]- 328.13194 182.1
[M+NH4]+ 347.17304 193.9
[M+K]+ 368.10238 178.8
[M+H-H2O]+ 312.13648 175.3
[M+HCOO]- 374.13742 208.2
[M+CH3COO]- 388.15307 204.3
[M+Na-2H]- 350.11389 184.0
[M]+ 329.13867 185.8
[M]- 329.13977 185.8
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

No patent data available for this compound.