CID 116146

1,2-bis(3,5-dichloro-2-hydroxyphenyl)ethane-1,2-dione

Structural Information

Molecular Formula
C14H6Cl4O4
SMILES
C1=C(C=C(C(=C1C(=O)C(=O)C2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
InChI
InChI=1S/C14H6Cl4O4/c15-5-1-7(11(19)9(17)3-5)13(21)14(22)8-2-6(16)4-10(18)12(8)20/h1-4,19-20H
InChIKey
OMOJSAYZCUWZSK-UHFFFAOYSA-N
Compound name
1,2-bis(3,5-dichloro-2-hydroxyphenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.902 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.90928 166.5
[M+Na]+ 400.89122 177.7
[M-H]- 376.89472 169.0
[M+NH4]+ 395.93582 179.2
[M+K]+ 416.86516 171.4
[M+H-H2O]+ 360.89926 164.2
[M+HCOO]- 422.90020 167.2
[M+CH3COO]- 436.91585 211.2
[M+Na-2H]- 398.87667 164.7
[M]+ 377.90145 170.9
[M]- 377.90255 170.9
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

patents stripe