CID 119085177

Furan-2-sulfinamide

Structural Information

Molecular Formula

SMILES

C1=COC(=C1)S(=O)N

InChI

InChI=1S/C4H5NO2S/c5-8(6)4-2-1-3-7-4/h1-3H,5H2

InChIKey

MEDYZCDILWOYJF-UHFFFAOYSA-N

Compound name

furan-2-sulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 131.0041 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]+	132.011376	121.9
[M+Na]+	153.993318	130.9
[M-H]-	129.996824	126.6
[M+NH4]+	149.037923	144.3
[M+K]+	169.967258	130.7
[M+H-H2O]+	114.001360	116.9
[M+HCOO]-	176.002301	142.6
[M+CH3COO]-	190.017951	168.3
[M+Na-2H]-	151.978766	126.0
[M]+	131.00355142	123.2
[M]-	131.00464858	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe