CID 4578136

66693-20-7

Structural Information

Molecular Formula
C6Cl4I2
SMILES
C1(=C(C(=C(C(=C1I)Cl)Cl)I)Cl)Cl
InChI
InChI=1S/C6Cl4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey
XJVBNWIBATXUFC-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3,6-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

465.68436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.69164 140.5
[M+Na]+ 488.67358 138.8
[M-H]- 464.67708 131.3
[M+NH4]+ 483.71818 149.2
[M+K]+ 504.64752 144.4
[M+H-H2O]+ 448.68162 133.0
[M+HCOO]- 510.68256 137.9
[M+CH3COO]- 524.69821 213.4
[M+Na-2H]- 486.65903 127.9
[M]+ 465.68381 138.5
[M]- 465.68491 138.5
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