CID 70076

Iodine trichloride

Structural Information

Molecular Formula
Cl3I
SMILES
ClI(Cl)Cl
InChI
InChI=1S/Cl3I/c1-4(2)3
InChIKey
PAWIVBWALDNUJP-UHFFFAOYSA-N
Compound name
trichloro-lambda3-iodane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1855
Patents

231.81104 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.818316 115.4
[M+Na]+ 254.800258 118.7
[M-H]- 230.803764 108.4
[M+NH4]+ 249.844863 133.7
[M+K]+ 270.774198 120.8
[M+H-H2O]+ 214.808300 111.1
[M+HCOO]- 276.809241 120.9
[M+CH3COO]- 290.824891 177.4
[M+Na-2H]- 252.785706 110.8
[M]+ 231.81049142 114.0
[M]- 231.81158858 114.0
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