CID 1268078

3-formyl-6-nitrochromone

Structural Information

Molecular Formula
C10H5NO5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CO2)C=O
InChI
InChI=1S/C10H5NO5/c12-4-6-5-16-9-2-1-7(11(14)15)3-8(9)10(6)13/h1-5H
InChIKey
JBDRQGWTNRIJRV-UHFFFAOYSA-N
Compound name
6-nitro-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

44
Patents

219.01677 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02405 138.9
[M+Na]+ 242.00599 148.8
[M-H]- 218.00949 145.2
[M+NH4]+ 237.05059 156.4
[M+K]+ 257.97993 143.7
[M+H-H2O]+ 202.01403 137.2
[M+HCOO]- 264.01497 164.1
[M+CH3COO]- 278.03062 181.2
[M+Na-2H]- 239.99144 149.9
[M]+ 219.01622 141.5
[M]- 219.01732 141.5
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.