CID 289119

8-bromo-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole

Structural Information

Molecular Formula
C11H10BrNS
SMILES
C1CSCC2=C1NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C11H10BrNS/c12-7-1-2-10-8(5-7)9-6-14-4-3-11(9)13-10/h1-2,5,13H,3-4,6H2
InChIKey
NIFLZIWCYOSPQJ-UHFFFAOYSA-N
Compound name
8-bromo-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.97174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.97902 140.2
[M+Na]+ 289.96096 144.5
[M+NH4]+ 285.00556 147.3
[M+K]+ 305.93490 143.0
[M-H]- 265.96446 141.9
[M+Na-2H]- 287.94641 143.5
[M]+ 266.97119 140.6
[M]- 266.97229 140.6
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

patents stripe