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

156
Patents

247.95056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95784 137.5
[M+Na]+ 270.93978 138.1
[M-H]- 246.94328 131.9
[M+NH4]+ 265.98438 152.8
[M+K]+ 286.91372 142.0
[M+H-H2O]+ 230.94782 128.9
[M+HCOO]- 292.94876 153.8
[M+CH3COO]- 306.96441 177.5
[M+Na-2H]- 268.92523 131.0
[M]+ 247.95001 133.0
[M]- 247.95111 133.0
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