CID 102529925

4-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

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 157.3
[M+Na]+ 320.04278 169.8
[M-H]- 296.04628 168.0
[M+NH4]+ 315.08738 179.5
[M+K]+ 336.01672 161.0
[M+H-H2O]+ 280.05082 158.7
[M+HCOO]- 342.05176 176.5
[M+CH3COO]- 356.06741 200.7
[M+Na-2H]- 318.02823 163.4
[M]+ 297.05301 177.4
[M]- 297.05411 177.4
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.