CID 82589

10368-20-4

Structural Information

Molecular Formula
C18H30NO5P
SMILES
CCCCCCCCCCP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C18H30NO5P/c1-3-5-6-7-8-9-10-11-16-25(22,23-4-2)24-18-14-12-17(13-15-18)19(20)21/h12-15H,3-11,16H2,1-2H3
InChIKey
QAZQTRDRKXPDMA-UHFFFAOYSA-N
Compound name
1-[decyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18616 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19344 194.9
[M+Na]+ 394.17538 197.9
[M-H]- 370.17888 196.2
[M+NH4]+ 389.21998 192.5
[M+K]+ 410.14932 191.5
[M+H-H2O]+ 354.18342 189.4
[M+HCOO]- 416.18436 211.6
[M+CH3COO]- 430.20001 213.4
[M+Na-2H]- 392.16083 197.1
[M]+ 371.18561 201.5
[M]- 371.18671 201.5
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.