CID 24820465

3,4,5-trichlorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe