CID 56776662

2-methyl-4-sulfamoylphenylboronic acid

Structural Information

Molecular Formula
C7H10BNO4S
SMILES
B(C1=C(C=C(C=C1)S(=O)(=O)N)C)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-5-4-6(14(9,12)13)2-3-7(5)8(10)11/h2-4,10-11H,1H3,(H2,9,12,13)
InChIKey
BSLOFCDDCNUTDZ-UHFFFAOYSA-N
Compound name
(2-methyl-4-sulfamoylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.04236 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04964 143.3
[M+Na]+ 238.03158 152.3
[M+NH4]+ 233.07618 149.3
[M+K]+ 254.00552 148.1
[M-H]- 214.03508 142.5
[M+Na-2H]- 236.01703 146.5
[M]+ 215.04181 144.4
[M]- 215.04291 144.4
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