CID 16414185

648905-63-9

Structural Information

Molecular Formula
C16H26BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C
InChI
InChI=1S/C16H26BNO4S/c1-14(2,3)18-23(19,20)13-10-8-12(9-11-13)17-21-15(4,5)16(6,7)22-17/h8-11,18H,1-7H3
InChIKey
NUVAQUSOEGIPTR-UHFFFAOYSA-N
Compound name
N-tert-butyl-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

49
Patents

339.16757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17485 172.2
[M+Na]+ 362.15679 180.4
[M-H]- 338.16029 180.6
[M+NH4]+ 357.20139 189.8
[M+K]+ 378.13073 180.5
[M+H-H2O]+ 322.16483 168.9
[M+HCOO]- 384.16577 186.1
[M+CH3COO]- 398.18142 209.7
[M+Na-2H]- 360.14224 178.7
[M]+ 339.16702 178.5
[M]- 339.16812 178.5
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