CID 91972086

1482416-52-3

Structural Information

Molecular Formula
C16BrF33O5
SMILES
C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)Br)(F)F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C16BrF33O5/c17-5(22,23)15(47,48)54-3(20,8(30,31)32)13(43,44)52-1(18,6(24,25)26)11(39,40)51-2(19,7(27,28)29)12(41,42)53-4(21,9(33,34)35)14(45,46)55-16(49,50)10(36,37)38
InChIKey
VAXWUAHPDZRLAP-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

977.8402 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 978.84748 239.3
[M+Na]+ 1000.8294 240.3
[M-H]- 976.83292 252.1
[M+NH4]+ 995.87402 252.0
[M+K]+ 1016.8034 254.9
[M+H-H2O]+ 960.83746 227.3
[M+HCOO]- 1022.8384 253.1
[M+CH3COO]- 1036.8541 273.8
[M+Na-2H]- 998.81487 241.1
[M]+ 977.83965 236.9
[M]- 977.84075 236.9
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.