CID 4226419

Tri-p-tolyl borate

Structural Information

Molecular Formula
C21H21BO3
SMILES
B(OC1=CC=C(C=C1)C)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
InChI
InChI=1S/C21H21BO3/c1-16-4-10-19(11-5-16)23-22(24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey
ROEKPHSQKWBJKS-UHFFFAOYSA-N
Compound name
tris(4-methylphenyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

569
Patents

332.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16568 179.0
[M+Na]+ 355.14762 185.6
[M-H]- 331.15112 188.6
[M+NH4]+ 350.19222 192.3
[M+K]+ 371.12156 181.8
[M+H-H2O]+ 315.15566 169.2
[M+HCOO]- 377.15660 201.5
[M+CH3COO]- 391.17225 211.6
[M+Na-2H]- 353.13307 181.9
[M]+ 332.15785 182.7
[M]- 332.15895 182.7
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