CID 3041338

Thieno(3,2-c)pyridinium, 5-(p-fluorophenacyl)-, chloride

Structural Information

Molecular Formula
C15H11FNOS
SMILES
C1=CC(=CC=C1C(=O)C[N+]2=CC3=C(C=C2)SC=C3)F
InChI
InChI=1S/C15H11FNOS/c16-13-3-1-11(2-4-13)14(18)10-17-7-5-15-12(9-17)6-8-19-15/h1-9H,10H2/q+1
InChIKey
NDPLUPLSJBBCQS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-thieno[3,2-c]pyridin-5-ium-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.05453 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06181 159.0
[M+Na]+ 295.04375 169.7
[M-H]- 271.04725 165.4
[M+NH4]+ 290.08835 177.2
[M+K]+ 311.01769 158.7
[M+H-H2O]+ 255.05179 153.7
[M+HCOO]- 317.05273 176.9
[M+CH3COO]- 331.06838 189.0
[M+Na-2H]- 293.02920 164.0
[M]+ 272.05398 160.9
[M]- 272.05508 160.9
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.