CID 475694

2-phosphonooxyethyl 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-methyl-2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]pentanoate

Structural Information

Molecular Formula
C22H11F34O10P
SMILES
CC(CC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(C(=O)OCCOP(=O)(O)O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C22H11F34O10P/c1-6(5(57)61-2-3-62-67(58,59)60,10(28,16(40,41)42)64-22(55,56)12(30,18(46,47)48)66-20(51,52)9(26,27)15(37,38)39)4-7(23,13(31,32)33)63-21(53,54)11(29,17(43,44)45)65-19(49,50)8(24,25)14(34,35)36/h2-4H2,1H3,(H2,58,59,60)
InChIKey
HRHGUHYZYSAPDP-UHFFFAOYSA-N
Compound name
2-phosphonooxyethyl 4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-methyl-2-[1,2,2,2-tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1111.9547 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1112.9620 273.9
[M+Na]+ 1134.9439 272.2
[M-H]- 1110.9474 290.2
[M+NH4]+ 1129.9885 287.8
[M+K]+ 1150.9179 287.9
[M+H-H2O]+ 1094.9520 256.3
[M+HCOO]- 1156.9529 283.8
[M+CH3COO]- 1170.9686 281.9
[M+Na-2H]- 1132.9294 271.1
[M]+ 1111.9542 273.8
[M]- 1111.9552 273.8
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.