CID 9991855

3-(2-bromothiophen-3-yl)pyridine

Structural Information

Molecular Formula
C9H6BrNS
SMILES
C1=CC(=CN=C1)C2=C(SC=C2)Br
InChI
InChI=1S/C9H6BrNS/c10-9-8(3-5-12-9)7-2-1-4-11-6-7/h1-6H
InChIKey
LSDBDDIEHVXIHR-UHFFFAOYSA-N
Compound name
3-(2-bromothiophen-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.94043 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.94771 134.6
[M+Na]+ 261.92965 148.8
[M-H]- 237.93315 143.8
[M+NH4]+ 256.97425 157.6
[M+K]+ 277.90359 137.3
[M+H-H2O]+ 221.93769 135.3
[M+HCOO]- 283.93863 153.5
[M+CH3COO]- 297.95428 151.3
[M+Na-2H]- 259.91510 140.7
[M]+ 238.93988 155.0
[M]- 238.94098 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe