CID 54690691

6087-65-6

Structural Information

Molecular Formula
C10H5NO7
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(C(=O)O2)C(=O)O)O
InChI
InChI=1S/C10H5NO7/c12-8-5-3-4(11(16)17)1-2-6(5)18-10(15)7(8)9(13)14/h1-3,12H,(H,13,14)
InChIKey
BOXYNOCBXWOJQN-UHFFFAOYSA-N
Compound name
4-hydroxy-6-nitro-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0066 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01388 143.8
[M+Na]+ 273.99582 152.9
[M-H]- 249.99932 147.6
[M+NH4]+ 269.04042 158.5
[M+K]+ 289.96976 147.8
[M+H-H2O]+ 234.00386 142.4
[M+HCOO]- 296.00480 165.2
[M+CH3COO]- 310.02045 182.7
[M+Na-2H]- 271.98127 152.6
[M]+ 251.00605 145.3
[M]- 251.00715 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.