CID 125424779

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(trifluoromethyl)sulfanyl]pyridine

Structural Information

Molecular Formula
C12H15BF3NO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)SC(F)(F)F
InChI
InChI=1S/C12H15BF3NO2S/c1-10(2)11(3,4)19-13(18-10)8-5-6-9(17-7-8)20-12(14,15)16/h5-7H,1-4H3
InChIKey
YFRGTXMBWRBOLL-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethylsulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.094126 157.8
[M+Na]+ 328.076068 168.5
[M-H]- 304.079574 161.5
[M+NH4]+ 323.120673 175.9
[M+K]+ 344.050008 167.7
[M+H-H2O]+ 288.084110 151.0
[M+HCOO]- 350.085051 168.6
[M+CH3COO]- 364.100701 200.1
[M+Na-2H]- 326.061516 161.3
[M]+ 305.08630142 159.6
[M]- 305.08739858 159.6
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.