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 138.8
[M+Na]+ 306.92092 141.3
[M-H]- 282.92442 131.4
[M+NH4]+ 301.96552 153.2
[M+K]+ 322.89486 144.5
[M+H-H2O]+ 266.92896 128.9
[M+HCOO]- 328.92990 153.2
[M+CH3COO]- 342.94555 185.0
[M+Na-2H]- 304.90637 130.3
[M]+ 283.93115 133.0
[M]- 283.93225 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.