CID 491723

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

Structural Information

Molecular Formula
C13H12BrCl2NO4
SMILES
C1=C2C=C(N(C2=CC(=C1Cl)Cl)C3C(C(C(O3)CO)O)O)Br
InChI
InChI=1S/C13H12BrCl2NO4/c14-10-2-5-1-6(15)7(16)3-8(5)17(10)13-12(20)11(19)9(4-18)21-13/h1-3,9,11-13,18-20H,4H2
InChIKey
TYTULTUOEJHWLH-UHFFFAOYSA-N
Compound name
2-(2-bromo-5,6-dichloroindol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.93268 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.93996 179.2
[M+Na]+ 417.92190 194.6
[M-H]- 393.92540 186.0
[M+NH4]+ 412.96650 196.8
[M+K]+ 433.89584 181.1
[M+H-H2O]+ 377.92994 181.2
[M+HCOO]- 439.93088 186.2
[M+CH3COO]- 453.94653 192.2
[M+Na-2H]- 415.90735 179.2
[M]+ 394.93213 201.9
[M]- 394.93323 201.9
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.