CID 68652820

7-bromo-2-chloro-[1,3]thiazolo[5,4-c]pyridine

Structural Information

Molecular Formula
C6H2BrClN2S
SMILES
C1=C2C(=C(C=N1)Br)N=C(S2)Cl
InChI
InChI=1S/C6H2BrClN2S/c7-3-1-9-2-4-5(3)10-6(8)11-4/h1-2H
InChIKey
TUOWPSYZMJWVNH-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-[1,3]thiazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.88106 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.88834 128.9
[M+Na]+ 270.87028 147.1
[M-H]- 246.87378 135.5
[M+NH4]+ 265.91488 152.8
[M+K]+ 286.84422 134.2
[M+H-H2O]+ 230.87832 130.8
[M+HCOO]- 292.87926 142.9
[M+CH3COO]- 306.89491 146.4
[M+Na-2H]- 268.85573 137.2
[M]+ 247.88051 153.4
[M]- 247.88161 153.4
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