CID 3868489

486422-04-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

311.13626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14354 167.2
[M+Na]+ 334.12548 177.1
[M+NH4]+ 329.17008 176.8
[M+K]+ 350.09942 170.1
[M-H]- 310.12898 172.0
[M+Na-2H]- 332.11093 174.4
[M]+ 311.13571 170.8
[M]- 311.13681 170.8
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