CID 138477

1-phenyl-1h-tetrazole

Structural Information

Molecular Formula

C₇H₆N₄

SMILES

C1=CC=C(C=C1)N2C=NN=N2

InChI

InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H

InChIKey

IYPXPGSELZFFMI-UHFFFAOYSA-N

Compound name

1-phenyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 2771
Patents: 146.05925 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.066526	126.9
[M+Na]+	169.048468	136.6
[M-H]-	145.051974	128.4
[M+NH4]+	164.093073	144.2
[M+K]+	185.022408	134.0
[M+H-H2O]+	129.056510	117.4
[M+HCOO]-	191.057451	149.0
[M+CH3COO]-	205.073101	140.4
[M+Na-2H]-	167.033916	136.0
[M]+	146.05870142	126.3
[M]-	146.05979858	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe