CID 54682640

4-hydroxy-3-nitrocoumarin

Structural Information

Molecular Formula
C9H5NO5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O
InChI
InChI=1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
InChIKey
NZQAQAUWFHMVEM-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

41
Patents

207.01677 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02405 135.9
[M+Na]+ 230.00599 150.9
[M+NH4]+ 225.05059 143.8
[M+K]+ 245.97993 148.5
[M-H]- 206.00949 140.2
[M+Na-2H]- 227.99144 141.8
[M]+ 207.01622 139.1
[M]- 207.01732 139.1
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