CID 71651278

16005-45-1

Structural Information

Molecular Formula
C6F13IO
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(C(F)(F)F)(F)I)(F)F)F
InChI
InChI=1S/C6F13IO/c7-1(20,3(9,10)11)6(18,19)21-2(8,4(12,13)14)5(15,16)17
InChIKey
CMXKXUHPHNWSIF-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,3,3,3-hexafluoro-2-iodopropoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

461.87863 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.88591 167.7
[M+Na]+ 484.86785 171.3
[M-H]- 460.87135 149.0
[M+NH4]+ 479.91245 175.6
[M+K]+ 500.84179 174.1
[M+H-H2O]+ 444.87589 152.0
[M+HCOO]- 506.87683 165.3
[M+CH3COO]- 520.89248 217.8
[M+Na-2H]- 482.85330 161.2
[M]+ 461.87808 147.4
[M]- 461.87918 147.4
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