CID 9885007

Schembl8628622

Structural Information

Molecular Formula
C12H10Cl3FN2O3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)Cl)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C12H10Cl3FN2O3/c13-4-1-6-7(2-5(4)14)18(12(15)17-6)11-9(16)10(20)8(3-19)21-11/h1-2,8-11,19-20H,3H2/t8-,9+,10-,11-/m1/s1
InChIKey
QWBCBZPFIOWROF-LMLFDSFASA-N
Compound name
(2R,3R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

353.9741 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.98138 172.8
[M+Na]+ 376.96332 186.0
[M-H]- 352.96682 174.3
[M+NH4]+ 372.00792 187.3
[M+K]+ 392.93726 179.7
[M+H-H2O]+ 336.97136 167.1
[M+HCOO]- 398.97230 175.1
[M+CH3COO]- 412.98795 183.2
[M+Na-2H]- 374.94877 170.2
[M]+ 353.97355 177.0
[M]- 353.97465 177.0
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

No patent data available for this compound.