CID 310081

90284-73-4

Structural Information

Molecular Formula
C13H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H9N3O5/c17-13-5-4-11(16(20)21)7-12(13)14-8-9-2-1-3-10(6-9)15(18)19/h1-8,17H
InChIKey
DWHJMJYTAJZJIH-UHFFFAOYSA-N
Compound name
4-nitro-2-[(3-nitrophenyl)methylideneamino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.05423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06151 161.5
[M+Na]+ 310.04345 166.6
[M-H]- 286.04695 168.2
[M+NH4]+ 305.08805 174.1
[M+K]+ 326.01739 155.6
[M+H-H2O]+ 270.05149 161.9
[M+HCOO]- 332.05243 188.3
[M+CH3COO]- 346.06808 191.4
[M+Na-2H]- 308.02890 170.3
[M]+ 287.05368 158.3
[M]- 287.05478 158.3
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

No patent data available for this compound.