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

10
Patents

230.94658 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95386 130.3
[M+Na]+ 253.93580 142.6
[M-H]- 229.93930 135.1
[M+NH4]+ 248.98040 150.4
[M+K]+ 269.90974 129.2
[M+H-H2O]+ 213.94384 129.3
[M+HCOO]- 275.94478 146.8
[M+CH3COO]- 289.96043 189.5
[M+Na-2H]- 251.92125 134.9
[M]+ 230.94603 146.3
[M]- 230.94713 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