CID 97046814

Cyanomethyl diphenylcarbamodithioate

Structural Information

Molecular Formula

C₁₅H₁₂N₂S₂

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)SCC#N

InChI

InChI=1S/C15H12N2S2/c16-11-12-19-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2

InChIKey

MYKFCCXEAFCDMK-UHFFFAOYSA-N

Compound name

cyanomethyl N,N-diphenylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 284.0442 Da
Monoisotopic Mass: 4.2
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]+	285.051476	174.7
[M+Na]+	307.033418	183.9
[M-H]-	283.036924	181.5
[M+NH4]+	302.078023	189.7
[M+K]+	323.007358	177.6
[M+H-H2O]+	267.041460	160.9
[M+HCOO]-	329.042401	185.2
[M+CH3COO]-	343.058051	184.1
[M+Na-2H]-	305.018866	175.2
[M]+	284.04365142	171.0
[M]-	284.04474858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe