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]+ 306.09413 157.8
[M+Na]+ 328.07607 168.5
[M-H]- 304.07957 161.5
[M+NH4]+ 323.12067 175.9
[M+K]+ 344.05001 167.7
[M+H-H2O]+ 288.08411 151.0
[M+HCOO]- 350.08505 168.6
[M+CH3COO]- 364.10070 200.1
[M+Na-2H]- 326.06152 161.3
[M]+ 305.08630 159.6
[M]- 305.08740 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.