CID 854504

7-[(3,4-dichlorophenyl)methoxy]-4-methylchromen-2-one

Structural Information

Molecular Formula
C17H12Cl2O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2O3/c1-10-6-17(20)22-16-8-12(3-4-13(10)16)21-9-11-2-5-14(18)15(19)7-11/h2-8H,9H2,1H3
InChIKey
YVPPHPPXHOKIKN-UHFFFAOYSA-N
Compound name
7-[(3,4-dichlorophenyl)methoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.01636 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.023636 171.0
[M+Na]+ 357.005578 183.7
[M-H]- 333.009084 179.5
[M+NH4]+ 352.050183 186.6
[M+K]+ 372.979518 178.2
[M+H-H2O]+ 317.013620 164.6
[M+HCOO]- 379.014561 184.3
[M+CH3COO]- 393.030211 183.9
[M+Na-2H]- 354.991026 176.4
[M]+ 334.01581142 179.7
[M]- 334.01690858 179.7
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.