CID 93547

1,2,4-trichloro-5-(2,6-dichlorophenoxy)benzene

Structural Information

Molecular Formula
C12H5Cl5O
SMILES
C1=CC(=C(C(=C1)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl5O/c13-6-2-1-3-7(14)12(6)18-11-5-9(16)8(15)4-10(11)17/h1-5H
InChIKey
BOJBTUWEQMUWHT-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-(2,6-dichlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.8783 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.885576 165.7
[M+Na]+ 362.867518 176.6
[M-H]- 338.871024 167.0
[M+NH4]+ 357.912123 179.8
[M+K]+ 378.841458 170.6
[M+H-H2O]+ 322.875560 161.9
[M+HCOO]- 384.876501 164.0
[M+CH3COO]- 398.892151 175.0
[M+Na-2H]- 360.852966 165.5
[M]+ 339.87775142 168.0
[M]- 339.87884858 168.0
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.