CID 71433100

3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H17BClNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)S(=O)(=O)N)Cl
InChI
InChI=1S/C12H17BClNO4S/c1-11(2)12(3,4)19-13(18-11)9-6-5-8(7-10(9)14)20(15,16)17/h5-7H,1-4H3,(H2,15,16,17)
InChIKey
VWBBFIPCGTVAMI-UHFFFAOYSA-N
Compound name
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.06598 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07326 162.6
[M+Na]+ 340.05520 173.4
[M-H]- 316.05870 171.4
[M+NH4]+ 335.09980 181.8
[M+K]+ 356.02914 171.7
[M+H-H2O]+ 300.06324 160.3
[M+HCOO]- 362.06418 174.0
[M+CH3COO]- 376.07983 202.3
[M+Na-2H]- 338.04065 167.3
[M]+ 317.06543 169.3
[M]- 317.06653 169.3
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

No patent data available for this compound.