CID 75529

2,2'-dinitrobiphenyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

270
Patents

244.0484 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05568 153.9
[M+Na]+ 267.03762 169.5
[M+NH4]+ 262.08222 162.1
[M+K]+ 283.01156 167.4
[M-H]- 243.04112 160.8
[M+Na-2H]- 265.02307 162.6
[M]+ 244.04785 158.0
[M]- 244.04895 158.0
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