CID 53216353

1217501-54-6

Structural Information

Molecular Formula
C11H18BNO4S
SMILES
B(C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)C)(O)O
InChI
InChI=1S/C11H18BNO4S/c1-4-13(5-2)18(16,17)10-6-7-11(12(14)15)9(3)8-10/h6-8,14-15H,4-5H2,1-3H3
InChIKey
VBGGYOPYJVELPF-UHFFFAOYSA-N
Compound name
[4-(diethylsulfamoyl)-2-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.10495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11223 157.9
[M+Na]+ 294.09417 164.2
[M-H]- 270.09767 160.3
[M+NH4]+ 289.13877 173.8
[M+K]+ 310.06811 162.1
[M+H-H2O]+ 254.10221 151.8
[M+HCOO]- 316.10315 173.2
[M+CH3COO]- 330.11880 197.0
[M+Na-2H]- 292.07962 159.0
[M]+ 271.10440 161.6
[M]- 271.10550 161.6
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