CID 25270497

5-(5-bromopyridin-2-yl)-4-methyl-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C8H7BrN4S
SMILES
CN1C(=NNC1=S)C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H7BrN4S/c1-13-7(11-12-8(13)14)6-3-2-5(9)4-10-6/h2-4H,1H3,(H,12,14)
InChIKey
HSBOBINVZDUXFY-UHFFFAOYSA-N
Compound name
3-(5-bromopyridin-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.9575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96478 144.3
[M+Na]+ 292.94672 149.0
[M+NH4]+ 287.99132 148.3
[M+K]+ 308.92066 148.9
[M-H]- 268.95022 144.4
[M+Na-2H]- 290.93217 148.2
[M]+ 269.95695 144.2
[M]- 269.95805 144.2
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

patents stripe