CID 10352379

1-chloro-3-(propane-2-sulfonyl)propane

Structural Information

Molecular Formula

C₆H₁₃ClO₂S

SMILES

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

InChI

InChI=1S/C6H13ClO2S/c1-6(2)10(8,9)5-3-4-7/h6H,3-5H2,1-2H3

InChIKey

YDZXLBAMTMNQMM-UHFFFAOYSA-N

Compound name

1-chloro-3-propan-2-ylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 184.03249 Da
Monoisotopic Mass: 1.3
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]+	185.039766	135.1
[M+Na]+	207.021708	143.5
[M-H]-	183.025214	136.0
[M+NH4]+	202.066313	156.5
[M+K]+	222.995648	140.7
[M+H-H2O]+	167.029750	131.9
[M+HCOO]-	229.030691	147.3
[M+CH3COO]-	243.046341	178.3
[M+Na-2H]-	205.007156	137.8
[M]+	184.03194142	140.5
[M]-	184.03303858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe