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
2
Annotation Hits

0
References

43
Patents

309.84442 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.851696 162.5
[M+Na]+ 332.833638 171.7
[M-H]- 308.837144 158.6
[M+NH4]+ 327.878243 176.3
[M+K]+ 348.807578 166.7
[M+H-H2O]+ 292.841680 160.6
[M+HCOO]- 354.842621 154.8
[M+CH3COO]- 368.858271 207.1
[M+Na-2H]- 330.819086 159.6
[M]+ 309.84387142 160.3
[M]- 309.84496858 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