CID 75597

2,4-dinitro-1-phenoxybenzene

Structural Information

Molecular Formula
C12H8N2O5
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O5/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H
InChIKey
HQFCELSVOFCACS-UHFFFAOYSA-N
Compound name
2,4-dinitro-1-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

260.04333 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05061 156.9
[M+Na]+ 283.03255 172.0
[M+NH4]+ 278.07715 164.6
[M+K]+ 299.00649 170.4
[M-H]- 259.03605 163.3
[M+Na-2H]- 281.01800 165.2
[M]+ 260.04278 160.7
[M]- 260.04388 160.7
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