CID 13793

Brn 2188485

Structural Information

Molecular Formula
C18H15B3Cl3N3
SMILES
B1(N(B(N(B(N1Cl)C2=CC=CC=C2)Cl)C3=CC=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C18H15B3Cl3N3/c22-25-19(16-10-4-1-5-11-16)26(23)21(18-14-8-3-9-15-18)27(24)20(25)17-12-6-2-7-13-17/h1-15H
InChIKey
NVBQPAAXHSMATH-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2,4,6-triphenyl-1,3,5,2,4,6-triazatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.06107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.06835 190.1
[M+Na]+ 434.05029 198.6
[M-H]- 410.05379 195.1
[M+NH4]+ 429.09489 197.4
[M+K]+ 450.02423 189.5
[M+H-H2O]+ 394.05833 177.3
[M+HCOO]- 456.05927 190.8
[M+CH3COO]- 470.07492 197.3
[M+Na-2H]- 432.03574 190.4
[M]+ 411.06052 189.1
[M]- 411.06162 189.1
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.