CID 46739029

(2-[(methylamino)sulfonyl]phenyl)boronic acid

Structural Information

Molecular Formula
C7H10BNO4S
SMILES
B(C1=CC=CC=C1S(=O)(=O)NC)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-9-14(12,13)7-5-3-2-4-6(7)8(10)11/h2-5,9-11H,1H3
InChIKey
AZXVSPOMIIRTDT-UHFFFAOYSA-N
Compound name
[2-(methylsulfamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

215.04236 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04964 141.2
[M+Na]+ 238.03158 148.4
[M-H]- 214.03508 142.5
[M+NH4]+ 233.07618 158.4
[M+K]+ 254.00552 145.5
[M+H-H2O]+ 198.03962 135.8
[M+HCOO]- 260.04056 157.4
[M+CH3COO]- 274.05621 180.4
[M+Na-2H]- 236.01703 145.5
[M]+ 215.04181 141.8
[M]- 215.04291 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe