CID 455196

2n2ph-s-4clph

Structural Information

Molecular Formula

C₁₂H₈ClN₂S

SMILES

C1=CC=C(C(=C1)[N+]#N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H8ClN2S/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-14/h1-8H/q+1

InChIKey

MCYBUUBKQUGKTK-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfanylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 247.00967 Da
Monoisotopic Mass: 5.3
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]+	248.01695	159.6
[M+Na]+	269.99889	171.7
[M-H]-	246.00239	167.3
[M+NH4]+	265.04349	176.7
[M+K]+	285.97283	160.4
[M+H-H2O]+	230.00693	149.5
[M+HCOO]-	292.00787	173.6
[M+CH3COO]-	306.02352	199.4
[M+Na-2H]-	267.98434	165.3
[M]+	247.00912	157.3
[M]-	247.01022	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe