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

87
Patents

241.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.065286 141.9
[M+Na]+ 264.047228 149.9
[M-H]- 240.050734 146.8
[M+NH4]+ 259.091833 153.3
[M+K]+ 280.021168 145.4
[M+H-H2O]+ 224.055270 136.0
[M+HCOO]- 286.056211 158.2
[M+CH3COO]- 300.071861 188.2
[M+Na-2H]- 262.032676 146.4
[M]+ 241.05746142 144.7
[M]- 241.05855858 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