CID 14607984

Bissulfine

Structural Information

Molecular Formula

C₆H₁₀O₂S₂

SMILES

CC(C=S=O)C(C)C=S=O

InChI

InChI=1S/C6H10O2S2/c1-5(3-9-7)6(2)4-10-8/h3-6H,1-2H3

InChIKey

RUYPPTVRJRANOX-UHFFFAOYSA-N

Compound name

2,3-dimethyl-1,4-disulfinylbutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 178.01222 Da
Monoisotopic Mass: 0.2
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]+	179.019496	134.3
[M+Na]+	201.001438	141.7
[M-H]-	177.004944	134.6
[M+NH4]+	196.046043	154.8
[M+K]+	216.975378	138.1
[M+H-H2O]+	161.009480	129.2
[M+HCOO]-	223.010421	145.6
[M+CH3COO]-	237.026071	176.9
[M+Na-2H]-	198.986886	133.1
[M]+	178.01167142	136.9
[M]-	178.01276858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe