CID 2776662

16627-68-2

Structural Information

Molecular Formula
C5H4F8O
SMILES
C(C(C(F)F)(F)F)OC(C(F)F)(F)F
InChI
InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2
InChIKey
HCBRSIIGBBDDCD-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2536
Patents

232.01344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020716 137.4
[M+Na]+ 255.002658 145.8
[M-H]- 231.006164 127.8
[M+NH4]+ 250.047263 154.6
[M+K]+ 270.976598 144.6
[M+H-H2O]+ 215.010700 126.8
[M+HCOO]- 277.011641 148.1
[M+CH3COO]- 291.027291 191.8
[M+Na-2H]- 252.988106 139.2
[M]+ 232.01289142 126.7
[M]- 232.01398858 126.7
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