CID 386364

Nsc678248

Structural Information

Molecular Formula
C17H11ClO5
SMILES
CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11ClO5/c1-10(19)21-14-5-2-11-8-16(17(20)23-15(11)9-14)22-13-6-3-12(18)4-7-13/h2-9H,1H3
InChIKey
OZSGZTFBYXXKIX-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0295 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03678 169.2
[M+Na]+ 353.01872 180.4
[M-H]- 329.02222 178.5
[M+NH4]+ 348.06332 183.9
[M+K]+ 368.99266 177.3
[M+H-H2O]+ 313.02676 161.8
[M+HCOO]- 375.02770 187.2
[M+CH3COO]- 389.04335 206.4
[M+Na-2H]- 351.00417 175.2
[M]+ 330.02895 177.7
[M]- 330.03005 177.7
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.