CID 55262941

(1-methylcyclopropyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₂S

SMILES

CC1(CC1)CS(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO2S/c1-5(2-3-5)4-9(6,7)8/h2-4H2,1H3

InChIKey

NPUZLDVCLQJVNQ-UHFFFAOYSA-N

Compound name

(1-methylcyclopropyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.00117 Da
Monoisotopic Mass: 1.5
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]+	169.008446	127.0
[M+Na]+	190.990388	137.8
[M-H]-	166.993894	132.1
[M+NH4]+	186.034993	145.8
[M+K]+	206.964328	135.1
[M+H-H2O]+	150.998430	123.9
[M+HCOO]-	212.999371	140.6
[M+CH3COO]-	227.015021	176.2
[M+Na-2H]-	188.975836	133.3
[M]+	168.00062142	133.8
[M]-	168.00171858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.