CID 53216349

4-(n-cyclopropylsulfamoyl)-2-methylphenylboronic acid

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

7
Patents

255.07365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08093 145.7
[M+Na]+ 278.06287 154.0
[M-H]- 254.06637 150.8
[M+NH4]+ 273.10747 156.9
[M+K]+ 294.03681 149.3
[M+H-H2O]+ 238.07091 139.9
[M+HCOO]- 300.07185 161.6
[M+CH3COO]- 314.08750 192.2
[M+Na-2H]- 276.04832 149.2
[M]+ 255.07310 149.3
[M]- 255.07420 149.3
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