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 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

No literature data available for this compound.

Patent stripe

patents stripe