CID 3051172

Phenol, 2,4-dinitro-6-phenoxy-

Structural Information

Molecular Formula
C12H8N2O6
SMILES
C1=CC=C(C=C1)OC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O6/c15-12-10(14(18)19)6-8(13(16)17)7-11(12)20-9-4-2-1-3-5-9/h1-7,15H
InChIKey
QQGAJSAJWUKYQK-UHFFFAOYSA-N
Compound name
2,4-dinitro-6-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03824 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04552 157.7
[M+Na]+ 299.02746 163.2
[M-H]- 275.03096 163.4
[M+NH4]+ 294.07206 170.4
[M+K]+ 315.00140 152.8
[M+H-H2O]+ 259.03550 158.7
[M+HCOO]- 321.03644 182.5
[M+CH3COO]- 335.05209 184.9
[M+Na-2H]- 297.01291 166.3
[M]+ 276.03769 155.3
[M]- 276.03879 155.3
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.