CID 14204207

2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine

Structural Information

Molecular Formula
C7H5ClN2S
SMILES
C1=CC2=C(N=C1)SC(=N2)CCl
InChI
InChI=1S/C7H5ClN2S/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4H2
InChIKey
PEZKJSQLIHPQMD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-[1,3]thiazolo[5,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

183.98619 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.993466 131.2
[M+Na]+ 206.975408 144.4
[M-H]- 182.978914 134.3
[M+NH4]+ 202.020013 153.4
[M+K]+ 222.949348 139.8
[M+H-H2O]+ 166.983450 125.8
[M+HCOO]- 228.984391 146.3
[M+CH3COO]- 243.000041 146.1
[M+Na-2H]- 204.960856 137.3
[M]+ 183.98564142 137.0
[M]- 183.98673858 137.0
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