CID 170139

38951-94-9

Structural Information

Molecular Formula

C₄H₈S₂

SMILES

CC(=C(C)S)S

InChI

InChI=1S/C4H8S2/c1-3(5)4(2)6/h5-6H,1-2H3

InChIKey

VBMZAWQHIKCKPO-UHFFFAOYSA-N

Compound name

but-2-ene-2,3-dithiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 49
Patents: 120.006744 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]+	121.01402	119.5
[M+Na]+	142.99596	127.2
[M-H]-	118.99947	120.3
[M+NH4]+	138.04057	142.5
[M+K]+	158.96990	125.3
[M+H-H2O]+	103.00400	115.1
[M+HCOO]-	165.00494	130.3
[M+CH3COO]-	179.02060	170.5
[M+Na-2H]-	140.98141	119.1
[M]+	120.00620	120.7
[M]-	120.00729	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe