CID 2776680

243128-38-3

Structural Information

Molecular Formula
C7H4F11IO
SMILES
C(CI)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H4F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H2
InChIKey
HJDWQDVEEKHDLR-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

439.91312 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.92040 167.1
[M+Na]+ 462.90234 169.7
[M-H]- 438.90584 149.4
[M+NH4]+ 457.94694 175.9
[M+K]+ 478.87628 172.5
[M+H-H2O]+ 422.91038 152.0
[M+HCOO]- 484.91132 167.4
[M+CH3COO]- 498.92697 215.0
[M+Na-2H]- 460.88779 159.7
[M]+ 439.91257 150.5
[M]- 439.91367 150.5
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.