CID 475693

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

Structural Information

Molecular Formula
C16H11F22O8P
SMILES
CC(CC(C(F)(F)F)(OC(C(C(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)(F)F)(F)F)F
InChI
InChI=1S/C16H11F22O8P/c1-6(5(39)43-2-3-44-47(40,41)42,10(22,14(32,33)34)46-16(37,38)9(20,21)13(29,30)31)4-7(17,11(23,24)25)45-15(35,36)8(18,19)12(26,27)28/h2-4H2,1H3,(H2,40,41,42)
InChIKey
YIDFGZYPSGUBBY-UHFFFAOYSA-N
Compound name
2-phosphonooxyethyl 4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methyl-2-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

779.984 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 780.99128 219.0
[M+Na]+ 802.97322 218.8
[M-H]- 778.97672 233.7
[M+NH4]+ 798.01782 233.0
[M+K]+ 818.94716 231.7
[M+H-H2O]+ 762.98126 198.8
[M+HCOO]- 824.98220 233.8
[M+CH3COO]- 838.99785 265.8
[M+Na-2H]- 800.95867 213.5
[M]+ 779.98345 219.0
[M]- 779.98455 219.0
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.