CID 47003538

3-(2-chloro-1,3-thiazol-4-yl)pyridine

Structural Information

Molecular Formula
C8H5ClN2S
SMILES
C1=CC(=CN=C1)C2=CSC(=N2)Cl
InChI
InChI=1S/C8H5ClN2S/c9-8-11-7(5-12-8)6-2-1-3-10-4-6/h1-5H
InChIKey
PEEYEEZRTKZFGW-UHFFFAOYSA-N
Compound name
2-chloro-4-pyridin-3-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.98619 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.993466 135.8
[M+Na]+ 218.975408 147.5
[M-H]- 194.978914 140.8
[M+NH4]+ 214.020013 156.0
[M+K]+ 234.949348 142.7
[M+H-H2O]+ 178.983450 129.3
[M+HCOO]- 240.984391 150.7
[M+CH3COO]- 255.000041 150.0
[M+Na-2H]- 216.960856 139.6
[M]+ 195.98564142 139.1
[M]- 195.98673858 139.1
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.