CID 17750243

68716-50-7

Structural Information

Molecular Formula
C12H15BCl2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H15BCl2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,1-4H3
InChIKey
SMSBTAPKLZZTAU-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.05423 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06151 152.2
[M+Na]+ 295.04345 163.9
[M-H]- 271.04695 160.5
[M+NH4]+ 290.08805 173.7
[M+K]+ 311.01739 161.0
[M+H-H2O]+ 255.05149 149.5
[M+HCOO]- 317.05243 163.8
[M+CH3COO]- 331.06808 195.4
[M+Na-2H]- 293.02890 157.0
[M]+ 272.05368 158.1
[M]- 272.05478 158.1
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