CID 6479237

Chembl1766550

Structural Information

Molecular Formula
C16H10Cl2O2
SMILES
C1/C(=C\C2=CC=C(C=C2)Cl)/C(=O)C3=C(O1)C=CC(=C3)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/h1-8H,9H2/b11-7+
InChIKey
QXEWRSADHJPWDV-YRNVUSSQSA-N
Compound name
(3E)-6-chloro-3-[(4-chlorophenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0058 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01308 165.1
[M+Na]+ 326.99502 175.8
[M-H]- 302.99852 172.6
[M+NH4]+ 322.03962 181.4
[M+K]+ 342.96896 169.4
[M+H-H2O]+ 287.00306 159.0
[M+HCOO]- 349.00400 175.8
[M+CH3COO]- 363.01965 177.2
[M+Na-2H]- 324.98047 169.6
[M]+ 304.00525 167.9
[M]- 304.00635 167.9
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.