CID 491722

2,5,6-trichloro-1-(.beta.-d-ribofuranosyl)indole

Structural Information

Molecular Formula
C13H12Cl3NO4
SMILES
C1=C2C=C(N(C2=CC(=C1Cl)Cl)C3C(C(C(O3)CO)O)O)Cl
InChI
InChI=1S/C13H12Cl3NO4/c14-6-1-5-2-10(16)17(8(5)3-7(6)15)13-12(20)11(19)9(4-18)21-13/h1-3,9,11-13,18-20H,4H2
InChIKey
DHIQBFVYZPHZTK-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-5-(2,5,6-trichloroindol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.9832 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.99048 174.1
[M+Na]+ 373.97242 186.4
[M-H]- 349.97592 177.1
[M+NH4]+ 369.01702 189.5
[M+K]+ 389.94636 180.2
[M+H-H2O]+ 333.98046 170.9
[M+HCOO]- 395.98140 177.3
[M+CH3COO]- 409.99705 184.7
[M+Na-2H]- 371.95787 171.8
[M]+ 350.98265 179.0
[M]- 350.98375 179.0
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.