CID 513107

Chembl1766625

Structural Information

Molecular Formula
C16H12Cl2O2
SMILES
C1C(C(=O)C2=C(O1)C=CC(=C2)Cl)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8,11H,7,9H2
InChIKey
FECWNNQTGADNEC-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-chlorophenyl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.02142 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02870 165.7
[M+Na]+ 329.01064 176.1
[M-H]- 305.01414 173.2
[M+NH4]+ 324.05524 182.0
[M+K]+ 344.98458 170.3
[M+H-H2O]+ 289.01868 159.6
[M+HCOO]- 351.01962 176.3
[M+CH3COO]- 365.03527 177.8
[M+Na-2H]- 326.99609 170.3
[M]+ 306.02087 169.3
[M]- 306.02197 169.3
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.