CID 54194876

Ns00116874

Structural Information

Molecular Formula
C8H11Cl2FO7
SMILES
C(C(F)(Cl)Cl)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C8H11Cl2FO7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7?/m0/s1
InChIKey
PLCGWGPQEGUNKG-OJGRKFFBSA-N
Compound name
(2S,3S,4S,5R)-6-(2,2-dichloro-2-fluoroethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.98657 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99385 152.2
[M+Na]+ 330.97579 159.8
[M-H]- 306.97929 149.9
[M+NH4]+ 326.02039 164.8
[M+K]+ 346.94973 157.1
[M+H-H2O]+ 290.98383 149.5
[M+HCOO]- 352.98477 154.8
[M+CH3COO]- 367.00042 191.5
[M+Na-2H]- 328.96124 153.7
[M]+ 307.98602 152.8
[M]- 307.98712 152.8
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.