CID 16414230

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H18BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)N
InChI
InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16)
InChIKey
OHKKUZJVWWPUNY-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

283.10495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11223 156.7
[M+Na]+ 306.09417 166.3
[M-H]- 282.09767 165.1
[M+NH4]+ 301.13877 176.2
[M+K]+ 322.06811 166.1
[M+H-H2O]+ 266.10221 153.3
[M+HCOO]- 328.10315 172.7
[M+CH3COO]- 342.11880 197.3
[M+Na-2H]- 304.07962 162.4
[M]+ 283.10440 161.2
[M]- 283.10550 161.2
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