CID 4193595

4-chloro-2-fluorophenylboronic acid

Structural Information

Molecular Formula
C6H5BClFO2
SMILES
B(C1=C(C=C(C=C1)Cl)F)(O)O
InChI
InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey
YBNDRTRLXPEWKQ-UHFFFAOYSA-N
Compound name
(4-chloro-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1545
Patents

174.00551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01279 128.2
[M+Na]+ 196.99473 140.8
[M+NH4]+ 192.03933 136.3
[M+K]+ 212.96867 135.4
[M-H]- 172.99823 128.0
[M+Na-2H]- 194.98018 134.1
[M]+ 174.00496 130.1
[M]- 174.00606 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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