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]+ 216.965546 136.3
[M+Na]+ 238.947488 150.6
[M-H]- 214.950994 139.7
[M+NH4]+ 233.992093 157.8
[M+K]+ 254.921428 145.0
[M+H-H2O]+ 198.955530 131.9
[M+HCOO]- 260.956471 145.9
[M+CH3COO]- 274.972121 150.7
[M+Na-2H]- 236.932936 139.4
[M]+ 215.95772142 143.3
[M]- 215.95881858 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