CID 61375299

5-bromo-2-(tert-butylsulfanyl)pyridine

Structural Information

Molecular Formula
C9H12BrNS
SMILES
CC(C)(C)SC1=NC=C(C=C1)Br
InChI
InChI=1S/C9H12BrNS/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChIKey
MTOBPQULIUQTEF-UHFFFAOYSA-N
Compound name
5-bromo-2-tert-butylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98738 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99466 137.6
[M+Na]+ 267.97660 150.5
[M-H]- 243.98010 143.4
[M+NH4]+ 263.02120 158.9
[M+K]+ 283.95054 138.8
[M+H-H2O]+ 227.98464 138.3
[M+HCOO]- 289.98558 152.4
[M+CH3COO]- 304.00123 188.8
[M+Na-2H]- 265.96205 144.3
[M]+ 244.98683 158.7
[M]- 244.98793 158.7
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.