CID 53216349

1217501-49-9

Structural Information

Molecular Formula
C10H14BNO4S
SMILES
B(C1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C)(O)O
InChI
InChI=1S/C10H14BNO4S/c1-7-6-9(4-5-10(7)11(13)14)17(15,16)12-8-2-3-8/h4-6,8,12-14H,2-3H2,1H3
InChIKey
KKXNAMHBRNMSBO-UHFFFAOYSA-N
Compound name
[4-(cyclopropylsulfamoyl)-2-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.07365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08093 157.1
[M+Na]+ 278.06287 167.6
[M+NH4]+ 273.10747 164.0
[M+K]+ 294.03681 163.8
[M-H]- 254.06637 164.8
[M+Na-2H]- 276.04832 163.8
[M]+ 255.07310 162.1
[M]- 255.07420 162.1
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