CID 53216377

[6-(ethanesulfonyl)pyridin-3-yl]boronic acid

Structural Information

Molecular Formula
C7H10BNO4S
SMILES
B(C1=CN=C(C=C1)S(=O)(=O)CC)(O)O
InChI
InChI=1S/C7H10BNO4S/c1-2-14(12,13)7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChIKey
NAHDBJRIKJSJMV-UHFFFAOYSA-N
Compound name
(6-ethylsulfonyl-3-pyridinyl)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 141.8
[M+Na]+ 238.03158 150.0
[M-H]- 214.03508 141.9
[M+NH4]+ 233.07618 158.2
[M+K]+ 254.00552 147.1
[M+H-H2O]+ 198.03962 136.1
[M+HCOO]- 260.04056 155.8
[M+CH3COO]- 274.05621 178.0
[M+Na-2H]- 236.01703 145.6
[M]+ 215.04181 143.7
[M]- 215.04291 143.7
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