CID 72595

Triphenylboroxin

Structural Information

Molecular Formula
C18H15B3O3
SMILES
B1(OB(OB(O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H15B3O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
InChIKey
VOXXGUAZBWSUSS-UHFFFAOYSA-N
Compound name
2,4,6-triphenyl-1,3,5,2,4,6-trioxatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

694
Patents

312.13004 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13732 170.6
[M+Na]+ 335.11926 176.3
[M-H]- 311.12276 184.3
[M+NH4]+ 330.16386 179.9
[M+K]+ 351.09320 175.4
[M+H-H2O]+ 295.12730 160.6
[M+HCOO]- 357.12824 188.8
[M+CH3COO]- 371.14389 181.8
[M+Na-2H]- 333.10471 177.3
[M]+ 312.12949 169.0
[M]- 312.13059 169.0
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