CID 214646

4h-1-benzopyran-2-carboxamide, 6-nitro-4-oxo-

Structural Information

Molecular Formula
C10H6N2O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=C(O2)C(=O)N
InChI
InChI=1S/C10H6N2O5/c11-10(14)9-4-7(13)6-3-5(12(15)16)1-2-8(6)17-9/h1-4H,(H2,11,14)
InChIKey
HMERJEBPCIDEAL-UHFFFAOYSA-N
Compound name
6-nitro-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

234.02766 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03494 143.0
[M+Na]+ 257.01688 151.6
[M-H]- 233.02038 148.6
[M+NH4]+ 252.06148 159.1
[M+K]+ 272.99082 146.5
[M+H-H2O]+ 217.02492 140.9
[M+HCOO]- 279.02586 167.5
[M+CH3COO]- 293.04151 186.2
[M+Na-2H]- 255.00233 152.2
[M]+ 234.02711 143.1
[M]- 234.02821 143.1
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

patents stripe