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
7
Annotation Hits

4
References

8044
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 134.8
[M+Na]+ 222.01214 141.8
[M-H]- 198.01564 137.4
[M+NH4]+ 217.05674 150.7
[M+K]+ 237.98608 132.1
[M+H-H2O]+ 182.02018 137.9
[M+HCOO]- 244.02112 160.6
[M+CH3COO]- 258.03677 172.8
[M+Na-2H]- 219.99759 143.4
[M]+ 199.02237 129.9
[M]- 199.02347 129.9
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