CID 104683

1,3-bis(3-nitrophenoxy)benzene

Structural Information

Molecular Formula
C18H12N2O6
SMILES
C1=CC(=CC(=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O6/c21-19(22)13-4-1-6-15(10-13)25-17-8-3-9-18(12-17)26-16-7-2-5-14(11-16)20(23)24/h1-12H
InChIKey
NYKPGQHPZCGOFF-UHFFFAOYSA-N
Compound name
1-nitro-3-[3-(3-nitrophenoxy)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

352.06955 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07683 181.6
[M+Na]+ 375.05877 198.0
[M+NH4]+ 370.10337 188.7
[M+K]+ 391.03271 195.2
[M-H]- 351.06227 190.1
[M+Na-2H]- 373.04422 191.5
[M]+ 352.06900 186.3
[M]- 352.07010 186.3
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