CID 5354393

Vinylene bisthiocyanate

Structural Information

Molecular Formula

C₄H₂N₂S₂

SMILES

C(=C/SC#N)\SC#N

InChI

InChI=1S/C4H2N2S2/c5-3-7-1-2-8-4-6/h1-2H/b2-1+

InChIKey

MNCUCCJMXIWMJJ-OWOJBTEDSA-N

Compound name

[(E)-2-thiocyanatoethenyl] thiocyanate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 323
Patents: 141.96594 Da
Monoisotopic Mass: 1.6
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]+	142.97322	146.8
[M+Na]+	164.95516	157.3
[M-H]-	140.95866	151.2
[M+NH4]+	159.99976	162.2
[M+K]+	180.92910	156.5
[M+H-H2O]+	124.96320	133.4
[M+HCOO]-	186.96414	152.8
[M+CH3COO]-	200.97979	207.6
[M+Na-2H]-	162.94061	147.3
[M]+	141.96539	141.3
[M]-	141.96649	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe