CID 46739635

[4-(butane-1-sulfonyl)phenyl]boronic acid

Structural Information

Molecular Formula
C10H15BO4S
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)CCCC)(O)O
InChI
InChI=1S/C10H15BO4S/c1-2-3-8-16(14,15)10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChIKey
YGBYIKCBEZABIT-UHFFFAOYSA-N
Compound name
(4-butylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.07841 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08569 150.8
[M+Na]+ 265.06763 157.6
[M-H]- 241.07113 151.7
[M+NH4]+ 260.11223 167.4
[M+K]+ 281.04157 154.2
[M+H-H2O]+ 225.07567 145.3
[M+HCOO]- 287.07661 165.1
[M+CH3COO]- 301.09226 184.3
[M+Na-2H]- 263.05308 153.1
[M]+ 242.07786 153.3
[M]- 242.07896 153.3
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