CID 3065490

Brn 5609532

Structural Information

Molecular Formula
C18H11ClO4
SMILES
COC1=CC2=C(C=C1)OC(=O)C=C2C3=CC4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C18H11ClO4/c1-21-12-3-5-16-13(8-12)14(9-18(20)23-16)17-7-10-6-11(19)2-4-15(10)22-17/h2-9H,1H3
InChIKey
QVONBZMEASGVGX-UHFFFAOYSA-N
Compound name
4-(5-chloro-1-benzofuran-2-yl)-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.03458 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04186 171.3
[M+Na]+ 349.02380 185.5
[M-H]- 325.02730 182.9
[M+NH4]+ 344.06840 188.1
[M+K]+ 364.99774 181.9
[M+H-H2O]+ 309.03184 165.0
[M+HCOO]- 371.03278 190.3
[M+CH3COO]- 385.04843 185.7
[M+Na-2H]- 347.00925 178.2
[M]+ 326.03403 181.9
[M]- 326.03513 181.9
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.