CID 2055067

Methyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate

Structural Information

Molecular Formula
C15H13ClO5
SMILES
COC(=O)COC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl
InChI
InChI=1S/C15H13ClO5/c1-19-14(17)7-20-13-6-12-10(5-11(13)16)8-3-2-4-9(8)15(18)21-12/h5-6H,2-4,7H2,1H3
InChIKey
LHNNUSWXKCTOCG-UHFFFAOYSA-N
Compound name
methyl 2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.04517 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05245 162.4
[M+Na]+ 331.03439 176.2
[M+NH4]+ 326.07899 170.6
[M+K]+ 347.00833 171.7
[M-H]- 307.03789 165.3
[M+Na-2H]- 329.01984 165.8
[M]+ 308.04462 165.4
[M]- 308.04572 165.4
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.