CID 2775186

16005-38-2

Structural Information

Molecular Formula
C5F11IO
SMILES
C(C(F)(F)F)(C(F)(F)F)(OC(C(F)(F)I)(F)F)F
InChI
InChI=1S/C5F11IO/c6-1(2(7,8)9,3(10,11)12)18-5(15,16)4(13,14)17
InChIKey
ZTRORDXSFFFPOW-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

411.8818 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.88908 157.3
[M+Na]+ 434.87102 160.6
[M-H]- 410.87452 140.0
[M+NH4]+ 429.91562 167.2
[M+K]+ 450.84496 164.0
[M+H-H2O]+ 394.87906 142.7
[M+HCOO]- 456.88000 158.3
[M+CH3COO]- 470.89565 209.7
[M+Na-2H]- 432.85647 151.0
[M]+ 411.88125 140.1
[M]- 411.88235 140.1
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