CID 3724220

9-[(2-chlorobenzyl)oxy]-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H17ClO3
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC4=CC=CC=C4Cl
InChI
InChI=1S/C20H17ClO3/c1-12-9-17(23-11-13-5-2-3-8-16(13)21)19-14-6-4-7-15(14)20(22)24-18(19)10-12/h2-3,5,8-10H,4,6-7,11H2,1H3
InChIKey
HEZKPQYYCQJXPC-UHFFFAOYSA-N
Compound name
9-[(2-chlorophenyl)methoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0866 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09388 178.6
[M+Na]+ 363.07582 189.8
[M-H]- 339.07932 188.3
[M+NH4]+ 358.12042 196.0
[M+K]+ 379.04976 184.2
[M+H-H2O]+ 323.08386 171.8
[M+HCOO]- 385.08480 194.8
[M+CH3COO]- 399.10045 191.1
[M+Na-2H]- 361.06127 181.9
[M]+ 340.08605 184.9
[M]- 340.08715 184.9
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.