CID 2827246

3-(2,4-dinitroanilino)phenol

Structural Information

Molecular Formula
C12H9N3O5
SMILES
C1=CC(=CC(=C1)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O5/c16-10-3-1-2-8(6-10)13-11-5-4-9(14(17)18)7-12(11)15(19)20/h1-7,13,16H
InChIKey
CPLOONONGQPDEM-UHFFFAOYSA-N
Compound name
3-(2,4-dinitroanilino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06151 160.4
[M+Na]+ 298.04345 174.1
[M+NH4]+ 293.08805 167.2
[M+K]+ 314.01739 173.4
[M-H]- 274.04695 166.6
[M+Na-2H]- 296.02890 167.5
[M]+ 275.05368 163.7
[M]- 275.05478 163.7
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.