CID 104310366

3-bromopyridine-2-carbothioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.93568 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94296 126.3
[M+Na]+ 238.92490 138.9
[M-H]- 214.92840 131.6
[M+NH4]+ 233.96950 147.5
[M+K]+ 254.89884 126.4
[M+H-H2O]+ 198.93294 126.2
[M+HCOO]- 260.93388 142.8
[M+CH3COO]- 274.94953 184.4
[M+Na-2H]- 236.91035 132.3
[M]+ 215.93513 143.9
[M]- 215.93623 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

literature stripe

Patent stripe

No patent data available for this compound.