CID 4191551

2,4,5-trichlorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34578
Patents

223.937 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.94428 134.2
[M+Na]+ 246.92622 145.1
[M-H]- 222.92972 134.5
[M+NH4]+ 241.97082 153.0
[M+K]+ 262.90016 139.3
[M+H-H2O]+ 206.93426 132.7
[M+HCOO]- 268.93520 141.1
[M+CH3COO]- 282.95085 182.3
[M+Na-2H]- 244.91167 137.5
[M]+ 223.93645 136.1
[M]- 223.93755 136.1
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