CID 386367

Nsc678251

Structural Information

Molecular Formula
C23H15ClO5
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H15ClO5/c1-14(25)27-18-11-12-19-20(13-18)29-23(26)22(21(19)15-5-3-2-4-6-15)28-17-9-7-16(24)8-10-17/h2-13H,1H3
InChIKey
QNPBKJAMEXFECL-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-oxo-4-phenylchromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0608 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06808 193.6
[M+Na]+ 429.05002 203.9
[M-H]- 405.05352 205.5
[M+NH4]+ 424.09462 204.5
[M+K]+ 445.02396 199.7
[M+H-H2O]+ 389.05806 183.8
[M+HCOO]- 451.05900 210.4
[M+CH3COO]- 465.07465 204.8
[M+Na-2H]- 427.03547 197.5
[M]+ 406.06025 201.6
[M]- 406.06135 201.6
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.