CID 74892417

2,4-difluoro-3-iodophenylboronic acid

Structural Information

Molecular Formula
C6H4BF2IO2
SMILES
B(C1=C(C(=C(C=C1)F)I)F)(O)O
InChI
InChI=1S/C6H4BF2IO2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H
InChIKey
GJEPANJRXYVOIH-UHFFFAOYSA-N
Compound name
(2,4-difluoro-3-iodophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.9317 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.93898 145.9
[M+Na]+ 306.92092 149.0
[M+NH4]+ 301.96552 148.1
[M+K]+ 322.89486 147.5
[M-H]- 282.92442 138.0
[M+Na-2H]- 304.90637 137.6
[M]+ 283.93115 142.8
[M]- 283.93225 142.8
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.