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]+ 257.99465 139.7
[M+Na]+ 279.97659 150.0
[M-H]- 255.98009 147.3
[M+NH4]+ 275.02119 159.7
[M+K]+ 295.95053 138.3
[M+H-H2O]+ 239.98463 139.7
[M+HCOO]- 301.98557 153.2
[M+CH3COO]- 316.00122 153.9
[M+Na-2H]- 277.96204 145.1
[M]+ 256.98682 155.5
[M]- 256.98792 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.