CID 3613389

2-amino-4-nitrophenol

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)O
InChI
InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2
InChIKey
VLZVIIYRNMWPSN-UHFFFAOYSA-N
Compound name
2-amino-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

43
References

10898
Patents

154.03784 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 126.1
[M+Na]+ 177.02706 138.4
[M+NH4]+ 172.07166 134.0
[M+K]+ 193.00100 136.4
[M-H]- 153.03056 129.2
[M+Na-2H]- 175.01251 132.1
[M]+ 154.03729 128.4
[M]- 154.03839 128.4
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