CID 12508394

98821-29-5

Structural Information

Molecular Formula

C₃H₅ClO₂S

SMILES

C/C=C/S(=O)(=O)Cl

InChI

InChI=1S/C3H5ClO2S/c1-2-3-7(4,5)6/h2-3H,1H3/b3-2+

InChIKey

GZYRNGLILQCDRQ-NSCUHMNNSA-N

Compound name

(E)-prop-1-ene-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 139.96988 Da
Monoisotopic Mass: 1.1
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]+	140.97716	121.1
[M+Na]+	162.95910	131.4
[M-H]-	138.96260	122.5
[M+NH4]+	158.00370	144.3
[M+K]+	178.93304	128.4
[M+H-H2O]+	122.96714	118.5
[M+HCOO]-	184.96808	135.4
[M+CH3COO]-	198.98373	166.8
[M+Na-2H]-	160.94455	126.3
[M]+	139.96933	125.1
[M]-	139.97043	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe