CID 494147

Nsc 149975

Structural Information

Molecular Formula
C22H18BN2
SMILES
[B-]1([N+]2=CC=CC=C2C3=CC=CC=[N+]31)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H18BN2/c1-3-11-19(12-4-1)23(20-13-5-2-6-14-20)24-17-9-7-15-21(24)22-16-8-10-18-25(22)23/h1-18H/q+1
InChIKey
OHRYEHMKFIDJIK-UHFFFAOYSA-N
Compound name
8,8-diphenyl-7,9-diazonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1563 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16358 183.2
[M+Na]+ 344.14552 190.2
[M-H]- 320.14902 190.6
[M+NH4]+ 339.19012 197.5
[M+K]+ 360.11946 171.7
[M+H-H2O]+ 304.15356 178.0
[M+HCOO]- 366.15450 200.9
[M+CH3COO]- 380.17015 192.9
[M+Na-2H]- 342.13097 193.1
[M]+ 321.15575 177.3
[M]- 321.15685 177.3
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.