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 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

literature stripe

Patent stripe

patents stripe