CID 214645

33544-21-7

Structural Information

Molecular Formula

C₁₀H₅BrN₄O₂

SMILES

C1=CC2=C(C=C1Br)C(=O)C=C(O2)C3=NNN=N3

InChI

InChI=1S/C10H5BrN4O2/c11-5-1-2-8-6(3-5)7(16)4-9(17-8)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)

InChIKey

FHPXSLWCBTUXQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.9596 Da
Monoisotopic Mass: 1.5
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]+	292.96688	150.4
[M+Na]+	314.94882	166.1
[M-H]-	290.95232	156.3
[M+NH4]+	309.99342	165.6
[M+K]+	330.92276	154.7
[M+H-H2O]+	274.95686	148.8
[M+HCOO]-	336.95780	168.8
[M+CH3COO]-	350.97345	165.1
[M+Na-2H]-	312.93427	160.2
[M]+	291.95905	171.7
[M]-	291.96015	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe