CID 289119

500690-88-0

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 143.4
[M+Na]+ 289.96096 157.3
[M-H]- 265.96446 149.6
[M+NH4]+ 285.00556 166.9
[M+K]+ 305.93490 144.5
[M+H-H2O]+ 249.96900 145.2
[M+HCOO]- 311.96994 157.2
[M+CH3COO]- 325.98559 158.5
[M+Na-2H]- 287.94641 150.1
[M]+ 266.97119 162.1
[M]- 266.97229 162.1
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