CID 124252553

2377012-74-1

Structural Information

Molecular Formula
C13H18BClO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)S(=O)(=O)C)Cl
InChI
InChI=1S/C13H18BClO4S/c1-12(2)13(3,4)19-14(18-12)10-7-6-9(8-11(10)15)20(5,16)17/h6-8H,1-5H3
InChIKey
ZYPSSEQCYMAJSN-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

316.07074 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07802 165.8
[M+Na]+ 339.05996 178.1
[M+NH4]+ 334.10456 176.0
[M+K]+ 355.03390 169.8
[M-H]- 315.06346 170.2
[M+Na-2H]- 337.04541 172.9
[M]+ 316.07019 170.0
[M]- 316.07129 170.0
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