CID 6479059

Schembl9976010

Structural Information

Molecular Formula
C17H11NO4
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H11NO4/c19-16-11-14(22-17-4-2-1-3-15(16)17)10-7-12-5-8-13(9-6-12)18(20)21/h1-11H/b10-7+
InChIKey
CCDRTIJYUQSKQL-JXMROGBWSA-N
Compound name
2-[(E)-2-(4-nitrophenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

293.06882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07610 164.7
[M+Na]+ 316.05804 172.7
[M-H]- 292.06154 173.3
[M+NH4]+ 311.10264 178.6
[M+K]+ 332.03198 164.9
[M+H-H2O]+ 276.06608 160.7
[M+HCOO]- 338.06702 188.4
[M+CH3COO]- 352.08267 195.8
[M+Na-2H]- 314.04349 173.8
[M]+ 293.06827 165.4
[M]- 293.06937 165.4
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.