CID 117779661

3-amino-5-bromopyridine-2-carbothioamide

Structural Information

Molecular Formula
C6H6BrN3S
SMILES
C1=C(C=NC(=C1N)C(=S)N)Br
InChI
InChI=1S/C6H6BrN3S/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,8H2,(H2,9,11)
InChIKey
FIGLXRVAZWSVGY-UHFFFAOYSA-N
Compound name
3-amino-5-bromopyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.94658 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.953856 130.3
[M+Na]+ 253.935798 142.6
[M-H]- 229.939304 135.1
[M+NH4]+ 248.980403 150.4
[M+K]+ 269.909738 129.2
[M+H-H2O]+ 213.943840 129.3
[M+HCOO]- 275.944781 146.8
[M+CH3COO]- 289.960431 189.5
[M+Na-2H]- 251.921246 134.9
[M]+ 230.94603142 146.3
[M]- 230.94712858 146.3
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