CID 17749962

4-(5-bromopyridin-2-yl)thiomorpholine

Structural Information

Molecular Formula
C9H11BrN2S
SMILES
C1CSCCN1C2=NC=C(C=C2)Br
InChI
InChI=1S/C9H11BrN2S/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
InChIKey
URPFCSWQQQCFIR-UHFFFAOYSA-N
Compound name
4-(5-bromopyridin-2-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

257.98264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98992 135.9
[M+Na]+ 280.97186 139.9
[M+NH4]+ 276.01646 142.0
[M+K]+ 296.94580 137.8
[M-H]- 256.97536 138.3
[M+Na-2H]- 278.95731 141.4
[M]+ 257.98209 136.4
[M]- 257.98319 136.4
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