CID 56776617

2-chloro-5-fluoro-4-methylphenylboronic acid

Structural Information

Molecular Formula
C7H7BClFO2
SMILES
B(C1=CC(=C(C=C1Cl)C)F)(O)O
InChI
InChI=1S/C7H7BClFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3,11-12H,1H3
InChIKey
XFHMSFKHEOXELL-UHFFFAOYSA-N
Compound name
(2-chloro-5-fluoro-4-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

188.02116 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02844 132.7
[M+Na]+ 211.01038 145.4
[M+NH4]+ 206.05498 140.6
[M+K]+ 226.98432 140.1
[M-H]- 187.01388 132.5
[M+Na-2H]- 208.99583 138.1
[M]+ 188.02061 134.6
[M]- 188.02171 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

No literature data available for this compound.

Patent stripe

patents stripe