CID 7147134

5-bromopyridine-3-carbothioamide

Structural Information

Molecular Formula
C6H5BrN2S
SMILES
C1=C(C=NC=C1Br)C(=S)N
InChI
InChI=1S/C6H5BrN2S/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChIKey
QYDLEPAVFFXKAZ-UHFFFAOYSA-N
Compound name
5-bromopyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.93568 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.942956 126.3
[M+Na]+ 238.924898 138.9
[M-H]- 214.928404 131.6
[M+NH4]+ 233.969503 147.5
[M+K]+ 254.898838 126.4
[M+H-H2O]+ 198.932940 126.2
[M+HCOO]- 260.933881 142.8
[M+CH3COO]- 274.949531 184.4
[M+Na-2H]- 236.910346 132.3
[M]+ 215.93513142 143.9
[M]- 215.93622858 143.9
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