CID 12116492

488742-51-4

Structural Information

Molecular Formula
C7H5ClN2S2
SMILES
CSC1=NC2=C(S1)C=C(C=N2)Cl
InChI
InChI=1S/C7H5ClN2S2/c1-11-7-10-6-5(12-7)2-4(8)3-9-6/h2-3H,1H3
InChIKey
JJAFBJJBTOYNTC-UHFFFAOYSA-N
Compound name
6-chloro-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.95827 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96555 136.3
[M+Na]+ 238.94749 150.6
[M-H]- 214.95099 139.7
[M+NH4]+ 233.99209 157.8
[M+K]+ 254.92143 145.0
[M+H-H2O]+ 198.95553 131.9
[M+HCOO]- 260.95647 145.9
[M+CH3COO]- 274.97212 150.7
[M+Na-2H]- 236.93294 139.4
[M]+ 215.95772 143.3
[M]- 215.95882 143.3
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