CID 165918110

4-bromo-2-(thian-4-yl)pyridine

Structural Information

Molecular Formula
C10H12BrNS
SMILES
C1CSCCC1C2=NC=CC(=C2)Br
InChI
InChI=1S/C10H12BrNS/c11-9-1-4-12-10(7-9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2
InChIKey
ADAQIRDIPOMNAR-UHFFFAOYSA-N
Compound name
4-bromo-2-(thian-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98737 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.994646 139.7
[M+Na]+ 279.976588 150.0
[M-H]- 255.980094 147.3
[M+NH4]+ 275.021193 159.7
[M+K]+ 295.950528 138.3
[M+H-H2O]+ 239.984630 139.7
[M+HCOO]- 301.985571 153.2
[M+CH3COO]- 316.001221 153.9
[M+Na-2H]- 277.962036 145.1
[M]+ 256.98682142 155.5
[M]- 256.98791858 155.5
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.