CID 70809

1133-57-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 170.4
[M+Na]+ 332.83364 184.5
[M+NH4]+ 327.87824 178.0
[M+K]+ 348.80758 175.1
[M-H]- 308.83714 170.9
[M+Na-2H]- 330.81909 174.9
[M]+ 309.84387 174.1
[M]- 309.84497 174.1
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