CID 66179

Alpha,alpha',2,3,5,6-hexachloro-4-xylene

Structural Information

Molecular Formula
C8H4Cl6
SMILES
C(C1=C(C(=C(C(=C1Cl)Cl)CCl)Cl)Cl)Cl
InChI
InChI=1S/C8H4Cl6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKey
IYGDLOMSJZQSGY-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

309.84442 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85170 162.5
[M+Na]+ 332.83364 171.7
[M-H]- 308.83714 158.6
[M+NH4]+ 327.87824 176.3
[M+K]+ 348.80758 166.7
[M+H-H2O]+ 292.84168 160.6
[M+HCOO]- 354.84262 154.8
[M+CH3COO]- 368.85827 207.1
[M+Na-2H]- 330.81909 159.6
[M]+ 309.84387 160.3
[M]- 309.84497 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe