CID 120318

Telogen d

Structural Information

Molecular Formula
C2Cl3F2I
SMILES
C(C(Cl)(Cl)Cl)(F)(F)I
InChI
InChI=1S/C2Cl3F2I/c3-1(4,5)2(6,7)8
InChIKey
FPPBRDLEJWNYLG-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2,2-difluoro-2-iodoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.80783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.81511 128.6
[M+Na]+ 316.79705 132.3
[M-H]- 292.80055 119.6
[M+NH4]+ 311.84165 144.8
[M+K]+ 332.77099 133.3
[M+H-H2O]+ 276.80509 122.6
[M+HCOO]- 338.80603 129.8
[M+CH3COO]- 352.82168 187.0
[M+Na-2H]- 314.78250 124.2
[M]+ 293.80728 125.3
[M]- 293.80838 125.3
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