CID 6479060

6-chloro-2-[(e)-2-(4-chlorophenyl)vinyl]chromen-4-one

Structural Information

Molecular Formula
C17H10Cl2O2
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl2O2/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-9-13(19)6-8-17(15)21-14/h1-10H/b7-3+
InChIKey
PRTCITNTOYQDQB-XVNBXDOJSA-N
Compound name
6-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0058 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01308 167.7
[M+Na]+ 338.99502 180.0
[M-H]- 314.99852 175.8
[M+NH4]+ 334.03962 183.7
[M+K]+ 354.96896 173.1
[M+H-H2O]+ 299.00306 161.3
[M+HCOO]- 361.00400 180.9
[M+CH3COO]- 375.01965 180.4
[M+Na-2H]- 336.98047 173.6
[M]+ 316.00525 173.7
[M]- 316.00635 173.7
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.