CID 6446946

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

Structural Information

Molecular Formula
C15H8ClNO5
SMILES
C1=CC2=C(C=C1Cl)OC(=O)C=C2/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H8ClNO5/c16-10-2-5-12-9(7-15(18)22-13(12)8-10)1-3-11-4-6-14(21-11)17(19)20/h1-8H/b3-1+
InChIKey
ZEKINZMYTRTKGR-HNQUOIGGSA-N
Compound name
7-chloro-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

317.0091 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01638 170.1
[M+Na]+ 339.99832 181.0
[M-H]- 316.00182 180.1
[M+NH4]+ 335.04292 184.7
[M+K]+ 355.97226 173.7
[M+H-H2O]+ 300.00636 168.5
[M+HCOO]- 362.00730 191.1
[M+CH3COO]- 376.02295 196.6
[M+Na-2H]- 337.98377 178.1
[M]+ 317.00855 176.9
[M]- 317.00965 176.9
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.