CID 162396674

2:2 fluorotelomer alcohol glucuronide

Structural Information

Molecular Formula
C10H13F5O7
SMILES
C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C10H13F5O7/c11-9(12,10(13,14)15)1-2-21-8-5(18)3(16)4(17)6(22-8)7(19)20/h3-6,8,16-18H,1-2H2,(H,19,20)/t3-,4-,5+,6-,8+/m0/s1
InChIKey
NFZAQCCKOVPTTE-UQGZVRACSA-N
Compound name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(3,3,4,4,4-pentafluorobutoxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.05814 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06542 181.8
[M+Na]+ 363.04736 182.9
[M+NH4]+ 358.09196 180.8
[M+K]+ 379.02130 183.1
[M-H]- 339.05086 172.4
[M+Na-2H]- 361.03281 176.4
[M]+ 340.05759 178.4
[M]- 340.05869 178.4
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

No patent data available for this compound.