CID 5206933

1,10-bis(3-nitrophenoxy)decane

Structural Information

Molecular Formula
C22H28N2O6
SMILES
C1=CC(=CC(=C1)OCCCCCCCCCCOC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C22H28N2O6/c25-23(26)19-11-9-13-21(17-19)29-15-7-5-3-1-2-4-6-8-16-30-22-14-10-12-20(18-22)24(27)28/h9-14,17-18H,1-8,15-16H2
InChIKey
CHPGQYKZPYAEGS-UHFFFAOYSA-N
Compound name
1-nitro-3-[10-(3-nitrophenoxy)decoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

416.19473 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20201 207.0
[M+Na]+ 439.18395 207.6
[M-H]- 415.18745 211.7
[M+NH4]+ 434.22855 214.3
[M+K]+ 455.15789 195.8
[M+H-H2O]+ 399.19199 205.3
[M+HCOO]- 461.19293 229.6
[M+CH3COO]- 475.20858 215.9
[M+Na-2H]- 437.16940 211.2
[M]+ 416.19418 208.9
[M]- 416.19528 208.9
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