CID 56776662

2-methyl-4-sulphamoylbenzeneboronic 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

7
Patents

215.04236 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04964 141.3
[M+Na]+ 238.03158 149.3
[M-H]- 214.03508 142.3
[M+NH4]+ 233.07618 158.5
[M+K]+ 254.00552 146.1
[M+H-H2O]+ 198.03962 136.1
[M+HCOO]- 260.04056 156.7
[M+CH3COO]- 274.05621 181.1
[M+Na-2H]- 236.01703 143.8
[M]+ 215.04181 141.2
[M]- 215.04291 141.2
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