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]+ 256.080926 145.7
[M+Na]+ 278.062868 154.0
[M-H]- 254.066374 150.8
[M+NH4]+ 273.107473 156.9
[M+K]+ 294.036808 149.3
[M+H-H2O]+ 238.070910 139.9
[M+HCOO]- 300.071851 161.6
[M+CH3COO]- 314.087501 192.2
[M+Na-2H]- 276.048316 149.2
[M]+ 255.07310142 149.3
[M]- 255.07419858 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