CID 115021592

(1-methoxycyclobutyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₁ClO₃S

SMILES

COC1(CCC1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO3S/c1-10-6(3-2-4-6)5-11(7,8)9/h2-5H2,1H3

InChIKey

CARQNAUGLGWZPA-UHFFFAOYSA-N

Compound name

(1-methoxycyclobutyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.01175 Da
Monoisotopic Mass: 1.0
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]+	199.019026	129.5
[M+Na]+	221.000968	136.5
[M-H]-	197.004474	133.2
[M+NH4]+	216.045573	145.4
[M+K]+	236.974908	137.0
[M+H-H2O]+	181.009010	121.7
[M+HCOO]-	243.009951	141.5
[M+CH3COO]-	257.025601	180.5
[M+Na-2H]-	218.986416	135.1
[M]+	198.01120142	142.8
[M]-	198.01229858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.