CID 11304813

69231-13-6

Structural Information

Molecular Formula
C19H13N6O4
SMILES
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H13N6O4/c26-24(27)17-10-6-15(7-11-17)22-20-19(14-4-2-1-3-5-14)21-23(22)16-8-12-18(13-9-16)25(28)29/h1-13H/q+1
InChIKey
NYPAVSNOWQLDSO-UHFFFAOYSA-N
Compound name
2,3-bis(4-nitrophenyl)-5-phenyltetrazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

389.09982 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10710 193.1
[M+Na]+ 412.08904 196.6
[M-H]- 388.09254 201.3
[M+NH4]+ 407.13364 196.6
[M+K]+ 428.06298 177.7
[M+H-H2O]+ 372.09708 190.5
[M+HCOO]- 434.09802 212.5
[M+CH3COO]- 448.11367 203.0
[M+Na-2H]- 410.07449 203.8
[M]+ 389.09927 187.1
[M]- 389.10037 187.1
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

patents stripe