CID 25180664

Chembl258544

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CN(C=C1)C2=CC(=CC=C2)N3C=NN=N3
InChI
InChI=1S/C11H9N5/c1-2-7-15(6-1)10-4-3-5-11(8-10)16-9-12-13-14-16/h1-9H
InChIKey
PVTOSDLEQDMVQH-UHFFFAOYSA-N
Compound name
1-(3-pyrrol-1-ylphenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

211.0858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09308 142.2
[M+Na]+ 234.07502 153.3
[M-H]- 210.07852 146.6
[M+NH4]+ 229.11962 157.3
[M+K]+ 250.04896 149.0
[M+H-H2O]+ 194.08306 131.4
[M+HCOO]- 256.08400 165.1
[M+CH3COO]- 270.09965 155.3
[M+Na-2H]- 232.06047 148.5
[M]+ 211.08525 143.7
[M]- 211.08635 143.7
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.