CID 101887213

2,6-dichloro-3,5-dimethoxyphenylboronic acid pinacol ester

Structural Information

Molecular Formula
C14H19BCl2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC(=C2Cl)OC)OC)Cl
InChI
InChI=1S/C14H19BCl2O4/c1-13(2)14(3,4)21-15(20-13)10-11(16)8(18-5)7-9(19-6)12(10)17/h7H,1-6H3
InChIKey
YAQXTIRKWGLBFX-UHFFFAOYSA-N
Compound name
2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.07535 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08263 163.8
[M+Na]+ 355.06457 176.2
[M-H]- 331.06807 172.6
[M+NH4]+ 350.10917 183.5
[M+K]+ 371.03851 174.2
[M+H-H2O]+ 315.07261 161.5
[M+HCOO]- 377.07355 175.3
[M+CH3COO]- 391.08920 207.8
[M+Na-2H]- 353.05002 167.1
[M]+ 332.07480 174.3
[M]- 332.07590 174.3
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

patents stripe