CID 4997616

Boronic acid, b-[2-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl]-

Structural Information

Molecular Formula
C10H16BNO4S
SMILES
B(C1=CC=CC=C1S(=O)(=O)NC(C)(C)C)(O)O
InChI
InChI=1S/C10H16BNO4S/c1-10(2,3)12-17(15,16)9-7-5-4-6-8(9)11(13)14/h4-7,12-14H,1-3H3
InChIKey
TUEIURIZJQRMQE-UHFFFAOYSA-N
Compound name
[2-(tert-butylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3465
Patents

257.0893 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09658 154.6
[M+Na]+ 280.07852 160.8
[M-H]- 256.08202 155.6
[M+NH4]+ 275.12312 170.3
[M+K]+ 296.05246 157.9
[M+H-H2O]+ 240.08656 149.2
[M+HCOO]- 302.08750 168.3
[M+CH3COO]- 316.10315 189.2
[M+Na-2H]- 278.06397 158.5
[M]+ 257.08875 155.7
[M]- 257.08985 155.7
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