CID 15906196

401797-02-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

literature stripe

Patent stripe

patents stripe