CID 2734384

2,4,6-trichlorophenylboronic acid

Structural Information

Molecular Formula
C6H4BCl3O2
SMILES
B(C1=C(C=C(C=C1Cl)Cl)Cl)(O)O
InChI
InChI=1S/C6H4BCl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChIKey
JWWBOINZBOIAHR-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

223.937 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.94428 138.3
[M+Na]+ 246.92622 152.7
[M+NH4]+ 241.97082 146.9
[M+K]+ 262.90016 146.2
[M-H]- 222.92972 139.1
[M+Na-2H]- 244.91167 144.4
[M]+ 223.93645 141.4
[M]- 223.93755 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe