CID 11461654

4-iodophenylboronic acid pinacol ester

Structural Information

Molecular Formula
C12H16BIO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H16BIO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3
InChIKey
ACCWXFPZHMACEN-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

330.0288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03608 153.5
[M+Na]+ 353.01802 156.1
[M-H]- 329.02152 155.0
[M+NH4]+ 348.06262 170.5
[M+K]+ 368.99196 161.9
[M+H-H2O]+ 313.02606 145.7
[M+HCOO]- 375.02700 169.6
[M+CH3COO]- 389.04265 196.8
[M+Na-2H]- 351.00347 147.8
[M]+ 330.02825 153.5
[M]- 330.02935 153.5
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

patents stripe