CID 15938808

26910-61-2

Structural Information

Molecular Formula

C₅H₁₁ClO₃S

SMILES

CS(=O)(=O)OCCCCCl

InChI

InChI=1S/C5H11ClO3S/c1-10(7,8)9-5-3-2-4-6/h2-5H2,1H3

InChIKey

HUNFFPQEYDANPE-UHFFFAOYSA-N

Compound name

4-chlorobutyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 186.01175 Da
Monoisotopic Mass: 0.6
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]+	187.019026	134.1
[M+Na]+	209.000968	143.1
[M-H]-	185.004474	135.0
[M+NH4]+	204.045573	155.4
[M+K]+	224.974908	140.5
[M+H-H2O]+	169.009010	130.8
[M+HCOO]-	231.009951	147.8
[M+CH3COO]-	245.025601	176.5
[M+Na-2H]-	206.986416	138.5
[M]+	186.01120142	141.1
[M]-	186.01229858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe