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

17
Patents

433.86047 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.867746 185.0
[M+Na]+ 456.849688 194.2
[M-H]- 432.853194 184.2
[M+NH4]+ 451.894293 195.0
[M+K]+ 472.823628 190.2
[M+H-H2O]+ 416.857730 181.2
[M+HCOO]- 478.858671 177.9
[M+CH3COO]- 492.874321 223.5
[M+Na-2H]- 454.835136 181.6
[M]+ 433.85992142 188.2
[M]- 433.86101858 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