CID 53429084

2-(4-bromo-3,5-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H14BBrCl2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)Br)Cl
InChI
InChI=1S/C12H14BBrCl2O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(15)10(14)9(16)6-7/h5-6H,1-4H3
InChIKey
UKPPGPXWYPWLLX-UHFFFAOYSA-N
Compound name
2-(4-bromo-3,5-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

349.96472 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.97200 160.7
[M+Na]+ 372.95394 176.4
[M-H]- 348.95744 171.6
[M+NH4]+ 367.99854 183.0
[M+K]+ 388.92788 165.0
[M+H-H2O]+ 332.96198 164.2
[M+HCOO]- 394.96292 170.5
[M+CH3COO]- 408.97857 205.3
[M+Na-2H]- 370.93939 166.2
[M]+ 349.96417 185.1
[M]- 349.96527 185.1
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