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

93
Patents

241.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06529 141.9
[M+Na]+ 264.04723 149.9
[M-H]- 240.05073 146.8
[M+NH4]+ 259.09183 153.3
[M+K]+ 280.02117 145.4
[M+H-H2O]+ 224.05527 136.0
[M+HCOO]- 286.05621 158.2
[M+CH3COO]- 300.07186 188.2
[M+Na-2H]- 262.03268 146.4
[M]+ 241.05746 144.7
[M]- 241.05856 144.7
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