CID 9954488

143722-25-2

Structural Information

Molecular Formula
C26H21BN4O2
SMILES
B(C1=CC=CC=C1C2=NN(N=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C26H21BN4O2/c32-27(33)24-19-11-10-18-23(24)25-28-30-31(29-25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,32-33H
InChIKey
LFUCLSFLKKJFQH-UHFFFAOYSA-N
Compound name
[2-(2-trityltetrazol-5-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

432.17575 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18303 204.7
[M+Na]+ 455.16497 221.5
[M+NH4]+ 450.20957 210.7
[M+K]+ 471.13891 215.3
[M-H]- 431.16847 212.0
[M+Na-2H]- 453.15042 218.4
[M]+ 432.17520 209.3
[M]- 432.17630 209.3
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