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
2
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]+ 308.993846 152.2
[M+Na]+ 330.975788 159.8
[M-H]- 306.979294 149.9
[M+NH4]+ 326.020393 164.8
[M+K]+ 346.949728 157.1
[M+H-H2O]+ 290.983830 149.5
[M+HCOO]- 352.984771 154.8
[M+CH3COO]- 367.000421 191.5
[M+Na-2H]- 328.961236 153.7
[M]+ 307.98602142 152.8
[M]- 307.98711858 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.