CID 86393

Benzene, 1,3-dichloro-2-(3,4-dichlorophenoxy)-

Structural Information

Molecular Formula
C12H6Cl4O
SMILES
C1=CC(=C(C(=C1)Cl)OC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H
InChIKey
IZZULMOBRTYHMH-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(2,6-dichlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.91727 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92455 158.2
[M+Na]+ 328.90649 169.6
[M-H]- 304.90999 161.7
[M+NH4]+ 323.95109 174.5
[M+K]+ 344.88043 162.9
[M+H-H2O]+ 288.91453 154.1
[M+HCOO]- 350.91547 162.3
[M+CH3COO]- 364.93112 169.4
[M+Na-2H]- 326.89194 160.5
[M]+ 305.91672 162.1
[M]- 305.91782 162.1
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.