CID 109635

68141-09-3

Structural Information

Molecular Formula
C24H24BCl3O3
SMILES
B(OC1=CC(=C(C(=C1)C)Cl)C)(OC2=CC(=C(C(=C2)C)Cl)C)OC3=CC(=C(C(=C3)C)Cl)C
InChI
InChI=1S/C24H24BCl3O3/c1-13-7-19(8-14(2)22(13)26)29-25(30-20-9-15(3)23(27)16(4)10-20)31-21-11-17(5)24(28)18(6)12-21/h7-12H,1-6H3
InChIKey
FABFFRBRJHMMPT-UHFFFAOYSA-N
Compound name
tris(4-chloro-3,5-dimethylphenyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.0884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.09568 205.3
[M+Na]+ 499.07762 216.9
[M-H]- 475.08112 214.1
[M+NH4]+ 494.12222 216.2
[M+K]+ 515.05156 210.3
[M+H-H2O]+ 459.08566 198.1
[M+HCOO]- 521.08660 211.9
[M+CH3COO]- 535.10225 238.6
[M+Na-2H]- 497.06307 200.8
[M]+ 476.08785 216.9
[M]- 476.08895 216.9
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

No patent data available for this compound.