CID 978411

8-chloro-7-[(4-methoxybenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula

C₂₀H₁₇ClO₄

SMILES

COC1=CC=C(C=C1)COC2=C(C=C3C4=C(CCC4)C(=O)OC3=C2)Cl

InChI

InChI=1S/C20H17ClO4/c1-23-13-7-5-12(6-8-13)11-24-19-10-18-16(9-17(19)21)14-3-2-4-15(14)20(22)25-18/h5-10H,2-4,11H2,1H3

InChIKey

WPQPNRRHYPPYKL-UHFFFAOYSA-N

Compound name

8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.08154 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.088816	181.2
[M+Na]+	379.070758	192.1
[M-H]-	355.074264	190.9
[M+NH4]+	374.115363	197.8
[M+K]+	395.044698	187.3
[M+H-H2O]+	339.078800	174.2
[M+HCOO]-	401.079741	197.6
[M+CH3COO]-	415.095391	193.5
[M+Na-2H]-	377.056206	184.7
[M]+	356.08099142	189.0
[M]-	356.08208858	189.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.