CID 9993953

594823-67-3

Structural Information

Molecular Formula
C12H16BBrO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H16BBrO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
InChIKey
FHCWGLQDAMYXJS-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

282.04266 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04994 152.4
[M+Na]+ 305.03188 165.2
[M-H]- 281.03538 163.6
[M+NH4]+ 300.07648 175.6
[M+K]+ 321.00582 157.2
[M+H-H2O]+ 265.03992 154.6
[M+HCOO]- 327.04086 171.5
[M+CH3COO]- 341.05651 195.5
[M+Na-2H]- 303.01733 159.9
[M]+ 282.04211 173.9
[M]- 282.04321 173.9
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.