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 159.0
[M+Na]+ 295.03255 164.0
[M-H]- 271.03605 165.6
[M+NH4]+ 290.07715 172.2
[M+K]+ 311.00649 153.5
[M+H-H2O]+ 255.04059 159.9
[M+HCOO]- 317.04153 184.0
[M+CH3COO]- 331.05718 187.0
[M+Na-2H]- 293.01800 166.6
[M]+ 272.04278 155.8
[M]- 272.04388 155.8
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