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]+ 204.94296 122.1
[M+Na]+ 226.92490 135.7
[M-H]- 202.92840 126.4
[M+NH4]+ 221.96950 143.4
[M+K]+ 242.89884 122.1
[M+H-H2O]+ 186.93294 122.5
[M+HCOO]- 248.93388 138.4
[M+CH3COO]- 262.94953 179.5
[M+Na-2H]- 224.91035 128.5
[M]+ 203.93513 138.5
[M]- 203.93623 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