CID 214616

33543-91-8

Structural Information

Molecular Formula

C₁₀H₆N₄O₂

SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C3=NNN=N3

InChI

InChI=1S/C10H6N4O2/c15-7-5-9(10-11-13-14-12-10)16-8-4-2-1-3-6(7)8/h1-5H,(H,11,12,13,14)

InChIKey

ZZLXVXGOFGHKHP-UHFFFAOYSA-N

Compound name

2-(2H-tetrazol-5-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 41
Patents: 214.04907 Da
Monoisotopic Mass: 0.8
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]+	215.05635	142.2
[M+Na]+	237.03829	158.6
[M+NH4]+	232.08289	149.2
[M+K]+	253.01223	154.4
[M-H]-	213.04179	145.1
[M+Na-2H]-	235.02374	150.8
[M]+	214.04852	145.3
[M]-	214.04962	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe