CID 13951927

1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)-3-iodo-propane

Structural Information

Molecular Formula
C4F9I
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)I)F
InChI
InChI=1S/C4F9I/c5-1(2(6,7)8,3(9,10)11)4(12,13)14
InChIKey
YXIILCMWJHESKN-UHFFFAOYSA-N
Compound name
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

345.8901 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.89738 181.0
[M+Na]+ 368.87932 179.7
[M+NH4]+ 363.92392 179.5
[M+K]+ 384.85326 178.1
[M-H]- 344.88282 171.3
[M+Na-2H]- 366.86477 174.0
[M]+ 345.88955 177.4
[M]- 345.89065 177.4
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