CID 22309452

[4-(methanesulfonamidomethyl)phenyl]boronic acid

Structural Information

Molecular Formula
C8H12BNO4S
SMILES
B(C1=CC=C(C=C1)CNS(=O)(=O)C)(O)O
InChI
InChI=1S/C8H12BNO4S/c1-15(13,14)10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10-12H,6H2,1H3
InChIKey
DFNWPOUFTMAIGJ-UHFFFAOYSA-N
Compound name
[4-(methanesulfonamidomethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

229.05801 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.065286 145.6
[M+Na]+ 252.047228 152.4
[M-H]- 228.050734 146.7
[M+NH4]+ 247.091833 162.3
[M+K]+ 268.021168 149.3
[M+H-H2O]+ 212.055270 140.0
[M+HCOO]- 274.056211 161.5
[M+CH3COO]- 288.071861 183.4
[M+Na-2H]- 250.032676 149.4
[M]+ 229.05746142 146.6
[M]- 229.05855858 146.6
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