CID 689077

720676-78-8

Structural Information

Molecular Formula
C15H11Cl3O2
SMILES
CC1=CC(=C(C=C1Cl)C(=O)CC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C15H11Cl3O2/c1-8-4-14(19)11(7-12(8)17)15(20)5-9-2-3-10(16)6-13(9)18/h2-4,6-7,19H,5H2,1H3
InChIKey
WUNHWDCMMVSCDG-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-hydroxy-4-methylphenyl)-2-(2,4-dichlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.98245 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98973 164.9
[M+Na]+ 350.97167 176.3
[M-H]- 326.97517 169.4
[M+NH4]+ 346.01627 180.5
[M+K]+ 366.94561 168.8
[M+H-H2O]+ 310.97971 160.9
[M+HCOO]- 372.98065 172.2
[M+CH3COO]- 386.99630 205.5
[M+Na-2H]- 348.95712 165.3
[M]+ 327.98190 169.9
[M]- 327.98300 169.9
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.