CID 61229256

3-amino-5-bromo-1,2-dihydropyridine-2-thione

Structural Information

Molecular Formula
C5H5BrN2S
SMILES
C1=C(C(=S)NC=C1Br)N
InChI
InChI=1S/C5H5BrN2S/c6-3-1-4(7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKey
CQMJOLDROOGWCU-UHFFFAOYSA-N
Compound name
3-amino-5-bromo-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.93568 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.942956 122.1
[M+Na]+ 226.924898 135.7
[M-H]- 202.928404 126.4
[M+NH4]+ 221.969503 143.4
[M+K]+ 242.898838 122.1
[M+H-H2O]+ 186.932940 122.5
[M+HCOO]- 248.933881 138.4
[M+CH3COO]- 262.949531 179.5
[M+Na-2H]- 224.910346 128.5
[M]+ 203.93513142 138.5
[M]- 203.93622858 138.5
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