CID 391007

4,4'-dihydroxy-3,3'-dinitrobenzophenone

Structural Information

Molecular Formula
C13H8N2O7
SMILES
C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C13H8N2O7/c16-11-3-1-7(5-9(11)14(19)20)13(18)8-2-4-12(17)10(6-8)15(21)22/h1-6,16-17H
InChIKey
AABHPMAMDHAYRG-UHFFFAOYSA-N
Compound name
bis(4-hydroxy-3-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

304.03314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04042 162.4
[M+Na]+ 327.02236 167.6
[M-H]- 303.02586 167.0
[M+NH4]+ 322.06696 173.2
[M+K]+ 342.99630 156.8
[M+H-H2O]+ 287.03040 163.6
[M+HCOO]- 349.03134 184.8
[M+CH3COO]- 363.04699 188.1
[M+Na-2H]- 325.00781 168.9
[M]+ 304.03259 158.9
[M]- 304.03369 158.9
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