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]+ 261.050606 154.6
[M+Na]+ 283.032548 160.5
[M-H]- 259.036054 160.4
[M+NH4]+ 278.077153 168.2
[M+K]+ 299.006488 149.5
[M+H-H2O]+ 243.040590 156.1
[M+HCOO]- 305.041531 179.4
[M+CH3COO]- 319.057181 182.8
[M+Na-2H]- 281.017996 163.0
[M]+ 260.04278142 151.1
[M]- 260.04387858 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.