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]+ 195.97307 139.8
[M+Na]+ 217.95501 155.3
[M-H]- 193.95851 142.4
[M+NH4]+ 212.99961 159.3
[M+K]+ 233.92895 149.5
[M+H-H2O]+ 177.96305 127.5
[M+HCOO]- 239.96399 151.5
[M+CH3COO]- 253.97964 152.8
[M+Na-2H]- 215.94046 144.5
[M]+ 194.96524 140.1
[M]- 194.96634 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.