CID 6446955

7-hydroxy-8-methyl-4-(2-(5-nitro-2-furyl)vinyl)coumarin

Structural Information

Molecular Formula
C16H11NO6
SMILES
CC1=C(C=CC2=C1OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-])O
InChI
InChI=1S/C16H11NO6/c1-9-13(18)6-5-12-10(8-15(19)23-16(9)12)2-3-11-4-7-14(22-11)17(20)21/h2-8,18H,1H3/b3-2+
InChIKey
FCVKKXZKXIMABP-NSCUHMNNSA-N
Compound name
7-hydroxy-8-methyl-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

313.05862 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06590 168.2
[M+Na]+ 336.04784 178.5
[M-H]- 312.05134 177.6
[M+NH4]+ 331.09244 181.8
[M+K]+ 352.02178 172.2
[M+H-H2O]+ 296.05588 166.0
[M+HCOO]- 358.05682 192.3
[M+CH3COO]- 372.07247 196.9
[M+Na-2H]- 334.03329 175.9
[M]+ 313.05807 173.2
[M]- 313.05917 173.2
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.