CID 2776201

2-bromo-1-[5-(2-pyridinyl)-2-thienyl]-1-ethanone

Structural Information

Molecular Formula
C11H8BrNOS
SMILES
C1=CC=NC(=C1)C2=CC=C(S2)C(=O)CBr
InChI
InChI=1S/C11H8BrNOS/c12-7-9(14)11-5-4-10(15-11)8-3-1-2-6-13-8/h1-6H,7H2
InChIKey
MJDNWZQQRFCXRU-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

280.951 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.95828 146.7
[M+Na]+ 303.94022 159.7
[M-H]- 279.94372 155.6
[M+NH4]+ 298.98482 167.7
[M+K]+ 319.91416 148.0
[M+H-H2O]+ 263.94826 146.9
[M+HCOO]- 325.94920 164.2
[M+CH3COO]- 339.96485 162.2
[M+Na-2H]- 301.92567 150.8
[M]+ 280.95045 167.8
[M]- 280.95155 167.8
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