CID 133662227

2223037-58-7

Structural Information

Molecular Formula
C13H17BBrClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)Br)C
InChI
InChI=1S/C13H17BBrClO2/c1-8-6-9(11(16)7-10(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
ZNCFRJIJMLOYHR-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chloro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.01935 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.02663 160.1
[M+Na]+ 353.00857 175.1
[M-H]- 329.01207 171.6
[M+NH4]+ 348.05317 183.0
[M+K]+ 368.98251 164.9
[M+H-H2O]+ 313.01661 163.2
[M+HCOO]- 375.01755 174.5
[M+CH3COO]- 389.03320 204.0
[M+Na-2H]- 350.99402 165.8
[M]+ 330.01880 184.4
[M]- 330.01990 184.4
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.