CID 115492093

2-(2,5-dichloro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H17BCl2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)OC)Cl
InChI
InChI=1S/C13H17BCl2O3/c1-12(2)13(3,4)19-14(18-12)8-6-10(16)11(17-5)7-9(8)15/h6-7H,1-5H3
InChIKey
VJDHEWIALWASKZ-UHFFFAOYSA-N
Compound name
2-(2,5-dichloro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07208 158.7
[M+Na]+ 325.05402 173.4
[M+NH4]+ 320.09862 170.1
[M+K]+ 341.02796 165.1
[M-H]- 301.05752 164.5
[M+Na-2H]- 323.03947 166.8
[M]+ 302.06425 163.6
[M]- 302.06535 163.6
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.