CID 2734362

3-iodophenylboronic acid

Structural Information

Molecular Formula
C6H6BIO2
SMILES
B(C1=CC(=CC=C1)I)(O)O
InChI
InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChIKey
REEUXWXIMNEIIN-UHFFFAOYSA-N
Compound name
(3-iodophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

247.95056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95784 136.6
[M+Na]+ 270.93978 141.0
[M+NH4]+ 265.98438 140.5
[M+K]+ 286.91372 139.2
[M-H]- 246.94328 131.4
[M+Na-2H]- 268.92523 130.0
[M]+ 247.95001 134.6
[M]- 247.95111 134.6
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