CID 108887

Benzene, 1,1'-[oxybis(methyleneoxy)]bis[2,4,6-trichloro-

Structural Information

Molecular Formula
C14H8Cl6O3
SMILES
C1=C(C=C(C(=C1Cl)OCOCOC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl6O3/c15-7-1-9(17)13(10(18)2-7)22-5-21-6-23-14-11(19)3-8(16)4-12(14)20/h1-4H,5-6H2
InChIKey
DJYQPTJGQRXOMR-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2-[(2,4,6-trichlorophenoxy)methoxymethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

433.86047 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.86775 185.0
[M+Na]+ 456.84969 194.2
[M-H]- 432.85319 184.2
[M+NH4]+ 451.89429 195.0
[M+K]+ 472.82363 190.2
[M+H-H2O]+ 416.85773 181.2
[M+HCOO]- 478.85867 177.9
[M+CH3COO]- 492.87432 223.5
[M+Na-2H]- 454.83514 181.6
[M]+ 433.85992 188.2
[M]- 433.86102 188.2
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