CID 59770368

710348-21-3

Structural Information

Molecular Formula
C14H22BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)NS(=O)(=O)C)C
InChI
InChI=1S/C14H22BNO4S/c1-10-7-8-11(16-21(6,17)18)9-12(10)15-19-13(2,3)14(4,5)20-15/h7-9,16H,1-6H3
InChIKey
SUCCUAMVSDTYKS-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

311.13626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14354 163.5
[M+Na]+ 334.12548 173.0
[M-H]- 310.12898 172.4
[M+NH4]+ 329.17008 182.4
[M+K]+ 350.09942 172.9
[M+H-H2O]+ 294.13352 160.1
[M+HCOO]- 356.13446 179.5
[M+CH3COO]- 370.15011 205.1
[M+Na-2H]- 332.11093 168.8
[M]+ 311.13571 170.1
[M]- 311.13681 170.1
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

patents stripe