CID 511719

(2r,5s)-2-(hydroxymethyl)-5-(2,6,7-trichloro-4-quinolyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C14H12Cl3NO4
SMILES
C1=C(C2=CC(=C(C=C2N=C1Cl)Cl)Cl)[C@H]3C(C([C@H](O3)CO)O)O
InChI
InChI=1S/C14H12Cl3NO4/c15-7-1-5-6(2-11(17)18-9(5)3-8(7)16)14-13(21)12(20)10(4-19)22-14/h1-3,10,12-14,19-21H,4H2/t10-,12?,13?,14+/m1/s1
InChIKey
WLGIXAPDNWAZHL-OFVDZJKFSA-N
Compound name
(2R,5S)-2-(hydroxymethyl)-5-(2,6,7-trichloroquinolin-4-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.9832 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.99048 175.2
[M+Na]+ 385.97242 186.5
[M-H]- 361.97592 177.6
[M+NH4]+ 381.01702 188.4
[M+K]+ 401.94636 180.4
[M+H-H2O]+ 345.98046 171.2
[M+HCOO]- 407.98140 176.2
[M+CH3COO]- 421.99705 185.0
[M+Na-2H]- 383.95787 174.2
[M]+ 362.98265 178.8
[M]- 362.98375 178.8
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.