CID 9284

Triphenyltetrazolium

Structural Information

Molecular Formula
C19H15N4
SMILES
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H15N4/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H/q+1
InChIKey
LNOBZXNCABUBKK-UHFFFAOYSA-N
Compound name
2,3,5-triphenyltetrazol-2-ium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1247
References

16830
Patents

299.12967 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.136946 173.7
[M+Na]+ 322.118888 181.9
[M-H]- 298.122394 181.5
[M+NH4]+ 317.163493 183.6
[M+K]+ 338.092828 169.1
[M+H-H2O]+ 282.126930 163.5
[M+HCOO]- 344.127871 193.4
[M+CH3COO]- 358.143521 183.8
[M+Na-2H]- 320.104336 181.4
[M]+ 299.12912142 171.2
[M]- 299.13021858 171.2
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