CID 4351750

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

Structural Information

Molecular Formula

C₁₉H₁₄ClFO₃

SMILES

C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC4=CC=CC=C4F

InChI

InChI=1S/C19H14ClFO3/c20-15-8-14-12-5-3-6-13(12)19(22)24-17(14)9-18(15)23-10-11-4-1-2-7-16(11)21/h1-2,4,7-9H,3,5-6,10H2

InChIKey

GFYFLMVUOBKPAW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.06155 Da
Monoisotopic Mass: 4.5
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]+	345.068826	176.7
[M+Na]+	367.050768	188.5
[M-H]-	343.054274	185.2
[M+NH4]+	362.095373	193.9
[M+K]+	383.024708	182.6
[M+H-H2O]+	327.058810	169.1
[M+HCOO]-	389.059751	192.3
[M+CH3COO]-	403.075401	189.1
[M+Na-2H]-	365.036216	180.1
[M]+	344.06100142	181.8
[M]-	344.06209858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.