CID 48366

Dinitro-oxydiphenyl [french]

Structural Information

Molecular Formula
C12H8N2O5
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O5/c15-11-7-9(13(16)17)6-10(14(18)19)12(11)8-4-2-1-3-5-8/h1-7,15H
InChIKey
OSOFRXFHWWCPBD-UHFFFAOYSA-N
Compound name
3,5-dinitro-2-phenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04333 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05061 154.6
[M+Na]+ 283.03255 160.5
[M-H]- 259.03605 160.4
[M+NH4]+ 278.07715 168.2
[M+K]+ 299.00649 149.5
[M+H-H2O]+ 243.04059 156.1
[M+HCOO]- 305.04153 179.4
[M+CH3COO]- 319.05718 182.8
[M+Na-2H]- 281.01800 163.0
[M]+ 260.04278 151.1
[M]- 260.04388 151.1
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.