CID 11458362

Pyridine, 3-bromo-4-(methylthio)-

Structural Information

Molecular Formula
C6H6BrNS
SMILES
CSC1=C(C=NC=C1)Br
InChI
InChI=1S/C6H6BrNS/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
InChIKey
MPCMMFVVWYYGRG-UHFFFAOYSA-N
Compound name
3-bromo-4-methylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

202.94043 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94771 121.5
[M+Na]+ 225.92965 126.2
[M+NH4]+ 220.97425 127.9
[M+K]+ 241.90359 124.3
[M-H]- 201.93315 122.9
[M+Na-2H]- 223.91510 126.8
[M]+ 202.93988 121.9
[M]- 202.94098 121.9
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