CID 984008

Brn 5452426

Structural Information

Molecular Formula
C17H10Cl2O5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl2O5/c1-9(20)23-11-3-4-12-15(7-11)22-8-16(17(12)21)24-14-5-2-10(18)6-13(14)19/h2-8H,1H3
InChIKey
TXWCSHUEGWZAAH-UHFFFAOYSA-N
Compound name
[3-(2,4-dichlorophenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.99054 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99782 174.5
[M+Na]+ 386.97976 192.7
[M+NH4]+ 382.02436 182.7
[M+K]+ 402.95370 184.5
[M-H]- 362.98326 180.1
[M+Na-2H]- 384.96521 182.5
[M]+ 363.98999 179.5
[M]- 363.99109 179.5
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

patents stripe