CID 44544736

(3s,4r,5s,6s)-3-fluoro-6-methyloxane-2,4,5-triol

Structural Information

Molecular Formula
C6H11FO4
SMILES
C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)F)O)O
InChI
InChI=1S/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6?/m0/s1
InChIKey
IRKXGKIPOMIQOD-ZZWDRFIYSA-N
Compound name
(3S,4R,5S,6S)-3-fluoro-6-methyloxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

166.06413 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07141 131.4
[M+Na]+ 189.05335 139.3
[M-H]- 165.05685 130.8
[M+NH4]+ 184.09795 149.3
[M+K]+ 205.02729 138.7
[M+H-H2O]+ 149.06139 126.3
[M+HCOO]- 211.06233 146.8
[M+CH3COO]- 225.07798 171.5
[M+Na-2H]- 187.03880 134.4
[M]+ 166.06358 127.1
[M]- 166.06468 127.1
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

patents stripe