CID 4921319

2-amino-4,6-dinitrophenol

Structural Information

Molecular Formula
C6H5N3O5
SMILES
C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
InChIKey
QXYMVUZOGFVPGH-UHFFFAOYSA-N
Compound name
2-amino-4,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

7790
Patents

199.02292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03020 139.4
[M+Na]+ 222.01214 151.3
[M+NH4]+ 217.05674 145.8
[M+K]+ 237.98608 160.8
[M-H]- 198.01564 142.8
[M+Na-2H]- 219.99759 143.5
[M]+ 199.02237 141.5
[M]- 199.02347 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe