CID 2805357

2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide

Structural Information

Molecular Formula
C10H6Cl2N2OS
SMILES
C1=CC(=CN=C1)NC(=O)C2=C(SC(=C2)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKey
XUXVQIKOGRNZPD-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

271.9578 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.965076 155.0
[M+Na]+ 294.947018 165.6
[M-H]- 270.950524 160.8
[M+NH4]+ 289.991623 173.5
[M+K]+ 310.920958 159.4
[M+H-H2O]+ 254.955060 149.5
[M+HCOO]- 316.956001 165.7
[M+CH3COO]- 330.971651 167.6
[M+Na-2H]- 292.932466 156.1
[M]+ 271.95725142 159.3
[M]- 271.95834858 159.3
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