CID 2773158

2-azido-1h-benzimidazole

Structural Information

Molecular Formula

C₇H₅N₅

SMILES

C1=CC=C2C(=C1)NC(=N2)N=[N+]=[N-]

InChI

InChI=1S/C7H5N5/c8-12-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

InChIKey

CFRSLTHRDZOACJ-UHFFFAOYSA-N

Compound name

2-azido-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 216
Patents: 159.05449 Da
Monoisotopic Mass: 2.5
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]+	160.061766	124.5
[M+Na]+	182.043708	134.0
[M-H]-	158.047214	128.6
[M+NH4]+	177.088313	145.0
[M+K]+	198.017648	126.5
[M+H-H2O]+	142.051750	121.3
[M+HCOO]-	204.052691	154.6
[M+CH3COO]-	218.068341	176.2
[M+Na-2H]-	180.029156	138.8
[M]+	159.05394142	122.2
[M]-	159.05503858	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe