CID 11825

2,4'-dinitrobiphenyl

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4/c15-13(16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(17)18/h1-8H
InChIKey
IZNVUHOCXBQQHM-UHFFFAOYSA-N
Compound name
1-nitro-2-(4-nitrophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

244.0484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.055676 152.7
[M+Na]+ 267.037618 158.4
[M-H]- 243.041124 159.4
[M+NH4]+ 262.082223 167.3
[M+K]+ 283.011558 147.7
[M+H-H2O]+ 227.045660 153.9
[M+HCOO]- 289.046601 178.7
[M+CH3COO]- 303.062251 182.6
[M+Na-2H]- 265.023066 161.7
[M]+ 244.04785142 149.2
[M]- 244.04894858 149.2
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