CID 386365

Nsc678249

Structural Information

Molecular Formula
C17H10Cl2O5
SMILES
CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl2O5/c1-9(20)22-12-3-2-10-6-16(17(21)24-15(10)8-12)23-11-4-5-13(18)14(19)7-11/h2-8H,1H3
InChIKey
VZBDZQHMCCFYCF-UHFFFAOYSA-N
Compound name
[3-(3,4-dichlorophenoxy)-2-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.99054 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99782 174.3
[M+Na]+ 386.97976 186.6
[M-H]- 362.98326 183.2
[M+NH4]+ 382.02436 188.4
[M+K]+ 402.95370 182.6
[M+H-H2O]+ 346.98780 167.9
[M+HCOO]- 408.98874 187.2
[M+CH3COO]- 423.00439 211.9
[M+Na-2H]- 384.96521 178.9
[M]+ 363.98999 184.6
[M]- 363.99109 184.6
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.