CID 138987153

2-amino-3,5-dichlorophenylboronic acid pinacol ester

Structural Information

Molecular Formula
C12H16BCl2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2N)Cl)Cl
InChI
InChI=1S/C12H16BCl2NO2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6H,16H2,1-4H3
InChIKey
PCVROMDXHUKPLZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(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

287.06512 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07240 158.5
[M+Na]+ 310.05434 170.2
[M-H]- 286.05784 166.5
[M+NH4]+ 305.09894 179.1
[M+K]+ 326.02828 166.8
[M+H-H2O]+ 270.06238 155.9
[M+HCOO]- 332.06332 170.4
[M+CH3COO]- 346.07897 200.8
[M+Na-2H]- 308.03979 161.9
[M]+ 287.06457 163.2
[M]- 287.06567 163.2
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.