CID 4984721

2-amino-5-nitrophenol

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

21
References

4911
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 125.3
[M+Na]+ 177.02706 133.3
[M-H]- 153.03056 128.0
[M+NH4]+ 172.07166 144.6
[M+K]+ 193.00100 127.5
[M+H-H2O]+ 137.03510 124.6
[M+HCOO]- 199.03604 151.2
[M+CH3COO]- 213.05169 169.0
[M+Na-2H]- 175.01251 133.5
[M]+ 154.03729 121.6
[M]- 154.03839 121.6
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