CID 3044787

Trisulfide, dicyano-

Structural Information

Molecular Formula

C₂N₂S₃

SMILES

C(#N)SSSC#N

InChI

InChI=1S/C2N2S3/c3-1-5-7-6-2-4

InChIKey

MIZBWIBHGBTKCY-UHFFFAOYSA-N

Compound name

(cyanodisulfanyl) thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 147.92236 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]+	148.92964	148.3
[M+Na]+	170.91158	158.9
[M-H]-	146.91508	153.1
[M+NH4]+	165.95618	163.3
[M+K]+	186.88552	158.5
[M+H-H2O]+	130.91962	135.3
[M+HCOO]-	192.92056	150.3
[M+CH3COO]-	206.93621	208.6
[M+Na-2H]-	168.89703	148.3
[M]+	147.92181	142.7
[M]-	147.92291	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe