CID 77231160

1262662-38-3

Structural Information

Molecular Formula
C7H8BClO4S
SMILES
B(C1=C(C=C(C=C1)S(=O)(=O)C)Cl)(O)O
InChI
InChI=1S/C7H8BClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKey
IDMDXGFABYBAMW-UHFFFAOYSA-N
Compound name
(2-chloro-4-methylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.9925 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.999776 140.8
[M+Na]+ 256.981718 150.4
[M-H]- 232.985224 142.9
[M+NH4]+ 252.026323 159.0
[M+K]+ 272.955658 146.1
[M+H-H2O]+ 216.989760 137.4
[M+HCOO]- 278.990701 151.7
[M+CH3COO]- 293.006351 180.4
[M+Na-2H]- 254.967166 143.8
[M]+ 233.99195142 144.7
[M]- 233.99304858 144.7
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