CID 687203

329211-16-7

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂S

SMILES

CS(=O)(=O)C1=NN=NN1C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C12H10N4O2S/c1-19(17,18)12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

InChIKey

GMOPMVYORVRFNP-UHFFFAOYSA-N

Compound name

5-methylsulfonyl-1-naphthalen-1-yltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 274.05246 Da
Monoisotopic Mass: 2.0
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]+	275.05974	160.8
[M+Na]+	297.04168	174.1
[M-H]-	273.04518	165.0
[M+NH4]+	292.08628	175.4
[M+K]+	313.01562	168.7
[M+H-H2O]+	257.04972	152.7
[M+HCOO]-	319.05066	176.9
[M+CH3COO]-	333.06631	173.4
[M+Na-2H]-	295.02713	167.1
[M]+	274.05191	166.2
[M]-	274.05301	166.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.