CID 363678

2-[(6-chloro-2-oxo-4-phenyl-2h-chromen-7-yl)oxy]propanoic acid

Structural Information

Molecular Formula
C18H13ClO5
SMILES
CC(C(=O)O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl
InChI
InChI=1S/C18H13ClO5/c1-10(18(21)22)23-16-9-15-13(7-14(16)19)12(8-17(20)24-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
InChIKey
IHPVIWJZZRTWJJ-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.04517 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05245 173.4
[M+Na]+ 367.03439 189.7
[M+NH4]+ 362.07899 180.9
[M+K]+ 383.00833 183.0
[M-H]- 343.03789 178.4
[M+Na-2H]- 365.01984 180.6
[M]+ 344.04462 177.6
[M]- 344.04572 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.