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 154.9
[M+Na]+ 307.08944 165.9
[M-H]- 283.09294 161.5
[M+NH4]+ 302.13404 172.3
[M+K]+ 323.06338 166.5
[M+H-H2O]+ 267.09748 150.4
[M+HCOO]- 329.09842 168.6
[M+CH3COO]- 343.11407 195.3
[M+Na-2H]- 305.07489 160.7
[M]+ 284.09967 161.6
[M]- 284.10077 161.6
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.