CID 17179

Tribenzyl borate

Structural Information

Molecular Formula
C21H21BO3
SMILES
B(OCC1=CC=CC=C1)(OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H21BO3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
IJJNTMLAAKKCML-UHFFFAOYSA-N
Compound name
tribenzyl borate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

827
Patents

332.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16568 181.0
[M+Na]+ 355.14762 196.5
[M+NH4]+ 350.19222 189.7
[M+K]+ 371.12156 186.7
[M-H]- 331.15112 188.0
[M+Na-2H]- 353.13307 193.0
[M]+ 332.15785 185.4
[M]- 332.15895 185.4
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