CID 102529925

1558927-15-3

Structural Information

Molecular Formula
C12H17BBrNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Br)N
InChI
InChI=1S/C12H17BBrNO2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,15H2,1-4H3
InChIKey
YONQOIHLAXGEJN-UHFFFAOYSA-N
Compound name
4-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.05356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06084 162.1
[M+Na]+ 320.04278 164.6
[M+NH4]+ 315.08738 169.0
[M+K]+ 336.01672 163.7
[M-H]- 296.04628 166.4
[M+Na-2H]- 318.02823 166.0
[M]+ 297.05301 162.9
[M]- 297.05411 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.