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 164.1
[M+Na]+ 331.03439 175.0
[M-H]- 307.03789 170.9
[M+NH4]+ 326.07899 182.9
[M+K]+ 347.00833 172.1
[M+H-H2O]+ 291.04243 159.3
[M+HCOO]- 353.04337 180.5
[M+CH3COO]- 367.05902 202.3
[M+Na-2H]- 329.01984 168.5
[M]+ 308.04462 172.5
[M]- 308.04572 172.5
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.