CID 71633995

2-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Structural Information

Molecular Formula
C11H17BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)S(=O)(=O)C
InChI
InChI=1S/C11H17BN2O4S/c1-10(2)11(3,4)18-12(17-10)8-6-13-9(14-7-8)19(5,15)16/h6-7H,1-5H3
InChIKey
YAXBYBLHCBWEBF-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10022 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10750 159.5
[M+Na]+ 307.08944 170.8
[M+NH4]+ 302.13404 168.2
[M+K]+ 323.06338 164.0
[M-H]- 283.09294 162.3
[M+Na-2H]- 305.07489 166.2
[M]+ 284.09967 162.7
[M]- 284.10077 162.7
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.