CID 338233

79892-85-6

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)N
InChI
InChI=1S/C9H6N2O4/c10-7-4-5-3-6(11(13)14)1-2-8(5)15-9(7)12/h1-4H,10H2
InChIKey
JQARZSMORFTYHY-UHFFFAOYSA-N
Compound name
3-amino-6-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

206.03276 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04004 136.4
[M+Na]+ 229.02198 145.7
[M-H]- 205.02548 142.2
[M+NH4]+ 224.06658 153.9
[M+K]+ 244.99592 140.3
[M+H-H2O]+ 189.03002 134.6
[M+HCOO]- 251.03096 161.9
[M+CH3COO]- 265.04661 181.1
[M+Na-2H]- 227.00743 147.1
[M]+ 206.03221 136.2
[M]- 206.03331 136.2
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