CID 543801

1,10-bis(4-nitrophenoxy)decane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 202.4
[M+Na]+ 439.18395 207.3
[M+NH4]+ 434.22855 209.9
[M+K]+ 455.15789 214.6
[M-H]- 415.18745 197.6
[M+Na-2H]- 437.16940 197.6
[M]+ 416.19418 203.4
[M]- 416.19528 203.4
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