CID 44119553

871329-67-8

Structural Information

Molecular Formula
C9H12BNO4S
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)NC2CC2)(O)O
InChI
InChI=1S/C9H12BNO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h1-2,5-6,8,11-13H,3-4H2
InChIKey
FUEGEHDCXRTJPN-UHFFFAOYSA-N
Compound name
[4-(cyclopropylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

241.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06529 153.5
[M+Na]+ 264.04723 163.8
[M+NH4]+ 259.09183 160.5
[M+K]+ 280.02117 160.1
[M-H]- 240.05073 161.1
[M+Na-2H]- 262.03268 160.5
[M]+ 241.05746 158.4
[M]- 241.05856 158.4
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