CID 12756333

3,4'-dinitrobenzophenone

Structural Information

Molecular Formula
C13H8N2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O5/c16-13(9-4-6-11(7-5-9)14(17)18)10-2-1-3-12(8-10)15(19)20/h1-8H
InChIKey
ZEGCOKXUTZGBGN-UHFFFAOYSA-N
Compound name
(3-nitrophenyl)-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

272.04333 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05061 159.8
[M+Na]+ 295.03255 174.4
[M+NH4]+ 290.07715 166.9
[M+K]+ 311.00649 173.4
[M-H]- 271.03605 165.8
[M+Na-2H]- 293.01800 167.4
[M]+ 272.04278 163.3
[M]- 272.04388 163.3
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