CID 6446947

7-hydroxy-4-(2-(5-nitro-2-furyl)vinyl)coumarin

Structural Information

Molecular Formula
C15H9NO6
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H9NO6/c17-10-2-5-12-9(7-15(18)22-13(12)8-10)1-3-11-4-6-14(21-11)16(19)20/h1-8,17H/b3-1+
InChIKey
KCKWXCHGCNWUFW-HNQUOIGGSA-N
Compound name
7-hydroxy-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05028 163.1
[M+Na]+ 322.03222 172.9
[M-H]- 298.03572 172.3
[M+NH4]+ 317.07682 176.9
[M+K]+ 338.00616 166.8
[M+H-H2O]+ 282.04026 160.9
[M+HCOO]- 344.04120 187.6
[M+CH3COO]- 358.05685 192.6
[M+Na-2H]- 320.01767 172.0
[M]+ 299.04245 167.3
[M]- 299.04355 167.3
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.