CID 56587683

16031-04-2

Structural Information

Molecular Formula
C5ClF10IO
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(F)(Cl)I)(F)F)F
InChI
InChI=1S/C5ClF10IO/c6-2(8,17)5(15,16)18-1(7,3(9,10)11)4(12,13)14
InChIKey
QQZFVLFYMUODCG-UHFFFAOYSA-N
Compound name
2-(2-chloro-1,1,2-trifluoro-2-iodoethoxy)-1,1,1,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.85226 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.85954 155.2
[M+Na]+ 450.84148 159.1
[M-H]- 426.84498 139.0
[M+NH4]+ 445.88608 165.5
[M+K]+ 466.81542 160.9
[M+H-H2O]+ 410.84952 141.9
[M+HCOO]- 472.85046 153.4
[M+CH3COO]- 486.86611 210.2
[M+Na-2H]- 448.82693 149.6
[M]+ 427.85171 141.4
[M]- 427.85281 141.4
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

No patent data available for this compound.