CID 3001617

2-bromo-6-methylthio-4-pyridinecarbothioamide

Structural Information

Molecular Formula
C7H7BrN2S2
SMILES
CSC1=NC(=CC(=C1)C(=S)N)Br
InChI
InChI=1S/C7H7BrN2S2/c1-12-6-3-4(7(9)11)2-5(8)10-6/h2-3H,1H3,(H2,9,11)
InChIKey
COJPDSGGULOVFZ-UHFFFAOYSA-N
Compound name
2-bromo-6-methylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9234 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.93068 127.5
[M+Na]+ 284.91262 140.6
[M-H]- 260.91612 132.5
[M+NH4]+ 279.95722 147.4
[M+K]+ 300.88656 126.3
[M+H-H2O]+ 244.92066 127.4
[M+HCOO]- 306.92160 138.2
[M+CH3COO]- 320.93725 192.7
[M+Na-2H]- 282.89807 131.2
[M]+ 261.92285 146.2
[M]- 261.92395 146.2
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

No patent data available for this compound.