CID 94258

Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether

Structural Information

Molecular Formula
C5HF11O
SMILES
C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H
InChIKey
CUTPKDUMZWIJKT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

416
Patents

285.98517 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.992446 146.6
[M+Na]+ 308.974388 156.2
[M-H]- 284.977894 134.3
[M+NH4]+ 304.018993 161.4
[M+K]+ 324.948328 154.3
[M+H-H2O]+ 268.982430 134.4
[M+HCOO]- 330.983371 152.0
[M+CH3COO]- 344.999021 200.1
[M+Na-2H]- 306.959836 149.5
[M]+ 285.98462142 130.6
[M]- 285.98571858 130.6
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