CID 16217158

3-chloro-2-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

852
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

No literature data available for this compound.

Patent stripe

patents stripe