CID 155973012

4-(5-bromopyridin-2-yl)-1lambda6-thiane-1,1-dione

Structural Information

Molecular Formula
C10H12BrNO2S
SMILES
C1CS(=O)(=O)CCC1C2=NC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNO2S/c11-9-1-2-10(12-7-9)8-3-5-15(13,14)6-4-8/h1-2,7-8H,3-6H2
InChIKey
BCXLAOPQXOWYMS-UHFFFAOYSA-N
Compound name
4-(5-bromopyridin-2-yl)thiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9772 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.98448 142.4
[M+Na]+ 311.96642 154.3
[M-H]- 287.96992 150.6
[M+NH4]+ 307.01102 163.1
[M+K]+ 327.94036 142.9
[M+H-H2O]+ 271.97446 143.0
[M+HCOO]- 333.97540 156.6
[M+CH3COO]- 347.99105 191.7
[M+Na-2H]- 309.95187 148.8
[M]+ 288.97665 160.5
[M]- 288.97775 160.5
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.