CID 56965722

3-bromoisothiazolo[4,5-b]pyrazine

Structural Information

Molecular Formula
C5H2BrN3S
SMILES
C1=CN=C2C(=N1)C(=NS2)Br
InChI
InChI=1S/C5H2BrN3S/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H
InChIKey
AFCJQWPCRDUHNK-UHFFFAOYSA-N
Compound name
3-bromo-[1,2]thiazolo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

214.91528 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.92256 121.9
[M+Na]+ 237.90450 139.0
[M-H]- 213.90800 127.2
[M+NH4]+ 232.94910 144.7
[M+K]+ 253.87844 127.9
[M+H-H2O]+ 197.91254 122.8
[M+HCOO]- 259.91348 139.6
[M+CH3COO]- 273.92913 139.3
[M+Na-2H]- 235.88995 131.7
[M]+ 214.91473 144.7
[M]- 214.91583 144.7
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