CID 854505

7-[(2,4-dichlorobenzyl)oxy]-4-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C17H12Cl2O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2O3/c1-10-6-17(20)22-16-8-13(4-5-14(10)16)21-9-11-2-3-12(18)7-15(11)19/h2-8H,9H2,1H3
InChIKey
XVOHLKXOXIWZDG-UHFFFAOYSA-N
Compound name
7-[(2,4-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]+ 335.02364 171.0
[M+Na]+ 357.00558 183.7
[M-H]- 333.00908 179.5
[M+NH4]+ 352.05018 186.6
[M+K]+ 372.97952 178.2
[M+H-H2O]+ 317.01362 164.6
[M+HCOO]- 379.01456 184.3
[M+CH3COO]- 393.03021 183.9
[M+Na-2H]- 354.99103 176.4
[M]+ 334.01581 179.7
[M]- 334.01691 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.