CID 2733803

93863-88-8

Structural Information

Molecular Formula
C14H15BrClNO6
SMILES
C1=C2C(=CC(=C1Br)Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11+,12+,13-,14-/m1/s1
InChIKey
CHRVKCMQIZYLNM-MBJXGIAVSA-N
Compound name
(2S,3R,4S,5R,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

406.97714 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.98442 187.1
[M+Na]+ 429.96636 189.3
[M+NH4]+ 425.01096 189.0
[M+K]+ 445.94030 192.4
[M-H]- 405.96986 186.8
[M+Na-2H]- 427.95181 184.7
[M]+ 406.97659 186.1
[M]- 406.97769 186.1
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

patents stripe