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

238
Patents

311.13626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14354 163.7
[M+Na]+ 334.12548 172.5
[M-H]- 310.12898 173.8
[M+NH4]+ 329.17008 183.0
[M+K]+ 350.09942 173.8
[M+H-H2O]+ 294.13352 159.9
[M+HCOO]- 356.13446 180.2
[M+CH3COO]- 370.15011 207.2
[M+Na-2H]- 332.11093 168.9
[M]+ 311.13571 171.1
[M]- 311.13681 171.1
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