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
2
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]+ 341.065416 165.1
[M+Na]+ 363.047358 171.3
[M-H]- 339.050864 157.4
[M+NH4]+ 358.091963 174.5
[M+K]+ 379.021298 170.3
[M+H-H2O]+ 323.055400 156.6
[M+HCOO]- 385.056341 170.1
[M+CH3COO]- 399.071991 200.3
[M+Na-2H]- 361.032806 165.1
[M]+ 340.05759142 157.4
[M]- 340.05868858 157.4
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.