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]+ 341.06542 165.1
[M+Na]+ 363.04736 171.3
[M-H]- 339.05086 157.4
[M+NH4]+ 358.09196 174.5
[M+K]+ 379.02130 170.3
[M+H-H2O]+ 323.05540 156.6
[M+HCOO]- 385.05634 170.1
[M+CH3COO]- 399.07199 200.3
[M+Na-2H]- 361.03281 165.1
[M]+ 340.05759 157.4
[M]- 340.05869 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.