CID 14274806

1,1'-methylenebis(2,6-dichlorobenzene)

Structural Information

Molecular Formula
C13H8Cl4
SMILES
C1=CC(=C(C(=C1)Cl)CC2=C(C=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h1-6H,7H2
InChIKey
HUNVCZYKHPLUQB-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-[(2,6-dichlorophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

303.93802 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.94530 160.2
[M+Na]+ 326.92724 171.3
[M-H]- 302.93074 163.4
[M+NH4]+ 321.97184 176.5
[M+K]+ 342.90118 163.7
[M+H-H2O]+ 286.93528 155.9
[M+HCOO]- 348.93622 163.7
[M+CH3COO]- 362.95187 171.0
[M+Na-2H]- 324.91269 161.9
[M]+ 303.93747 163.1
[M]- 303.93857 163.1
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

patents stripe