CID 76850416

2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

Structural Information

Molecular Formula
C7H2ClN3S
SMILES
C1=C(C=NC2=C1SC(=N2)Cl)C#N
InChI
InChI=1S/C7H2ClN3S/c8-7-11-6-5(12-7)1-4(2-9)3-10-6/h1,3H
InChIKey
RSUWGNPQLDZYJO-UHFFFAOYSA-N
Compound name
2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.96579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.973066 139.8
[M+Na]+ 217.955008 155.3
[M-H]- 193.958514 142.4
[M+NH4]+ 212.999613 159.3
[M+K]+ 233.928948 149.5
[M+H-H2O]+ 177.963050 127.5
[M+HCOO]- 239.963991 151.5
[M+CH3COO]- 253.979641 152.8
[M+Na-2H]- 215.940456 144.5
[M]+ 194.96524142 140.1
[M]- 194.96633858 140.1
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.