CID 3065492

Brn 5588612

Structural Information

Molecular Formula
C18H11ClO3
SMILES
CC1=CC2=C(C=C1)OC(=C2)C3=CC(=O)OC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C18H11ClO3/c1-10-2-4-15-11(6-10)7-17(21-15)14-9-18(20)22-16-5-3-12(19)8-13(14)16/h2-9H,1H3
InChIKey
JRWFQRSHGZTQPX-UHFFFAOYSA-N
Compound name
6-chloro-4-(5-methyl-1-benzofuran-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.03967 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04695 168.5
[M+Na]+ 333.02889 182.9
[M-H]- 309.03239 180.1
[M+NH4]+ 328.07349 186.1
[M+K]+ 349.00283 178.6
[M+H-H2O]+ 293.03693 162.4
[M+HCOO]- 355.03787 187.4
[M+CH3COO]- 369.05352 183.1
[M+Na-2H]- 331.01434 175.3
[M]+ 310.03912 177.8
[M]- 310.04022 177.8
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.