CID 513101

6-chloro-3-[(4-chlorophenyl)methyl]chromen-4-one

Structural Information

Molecular Formula
C16H10Cl2O2
SMILES
C1=CC(=CC=C1CC2=COC3=C(C2=O)C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8-9H,7H2
InChIKey
TYGCSMFETMMFKY-UHFFFAOYSA-N
Compound name
6-chloro-3-[(4-chlorophenyl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0058 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01308 163.6
[M+Na]+ 326.99502 176.0
[M-H]- 302.99852 171.8
[M+NH4]+ 322.03962 180.1
[M+K]+ 342.96896 169.9
[M+H-H2O]+ 287.00306 157.4
[M+HCOO]- 349.00400 176.9
[M+CH3COO]- 363.01965 176.7
[M+Na-2H]- 324.98047 170.1
[M]+ 304.00525 170.0
[M]- 304.00635 170.0
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.