CID 721097

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

Structural Information

Molecular Formula
C19H15ClO3
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClO3/c20-13-6-4-12(5-7-13)11-22-14-8-9-16-15-2-1-3-17(15)19(21)23-18(16)10-14/h4-10H,1-3,11H2
InChIKey
AZSFFSMOOOFXNL-UHFFFAOYSA-N
Compound name
7-[(4-chlorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.07098 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07826 173.5
[M+Na]+ 349.06020 184.3
[M-H]- 325.06370 183.1
[M+NH4]+ 344.10480 191.2
[M+K]+ 365.03414 178.9
[M+H-H2O]+ 309.06824 166.7
[M+HCOO]- 371.06918 190.2
[M+CH3COO]- 385.08483 186.1
[M+Na-2H]- 347.04565 178.1
[M]+ 326.07043 179.1
[M]- 326.07153 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.