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

5
Patents

234.02766 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.034936 143.0
[M+Na]+ 257.016878 151.6
[M-H]- 233.020384 148.6
[M+NH4]+ 252.061483 159.1
[M+K]+ 272.990818 146.5
[M+H-H2O]+ 217.024920 140.9
[M+HCOO]- 279.025861 167.5
[M+CH3COO]- 293.041511 186.2
[M+Na-2H]- 255.002326 152.2
[M]+ 234.02711142 143.1
[M]- 234.02820858 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