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

21
Patents

304.03314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.040416 162.4
[M+Na]+ 327.022358 167.6
[M-H]- 303.025864 167.0
[M+NH4]+ 322.066963 173.2
[M+K]+ 342.996298 156.8
[M+H-H2O]+ 287.030400 163.6
[M+HCOO]- 349.031341 184.8
[M+CH3COO]- 363.046991 188.1
[M+Na-2H]- 325.007806 168.9
[M]+ 304.03259142 158.9
[M]- 304.03368858 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