CID 75875

Tri-o-tolyl borate

Structural Information

Molecular Formula
C21H21BO3
SMILES
B(OC1=CC=CC=C1C)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI
InChI=1S/C21H21BO3/c1-16-10-4-7-13-19(16)23-22(24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
RTMBXAOPKJNOGZ-UHFFFAOYSA-N
Compound name
tris(2-methylphenyl) borate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1055
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

literature stripe

Patent stripe

patents stripe