CID 131420775

(6-methyloxan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

CC1CCCC(O1)CS(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO3S/c1-6-3-2-4-7(11-6)5-12(8,9)10/h6-7H,2-5H2,1H3

InChIKey

XFTNCRHZKGENJY-UHFFFAOYSA-N

Compound name

(6-methyloxan-2-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.02739 Da
Monoisotopic Mass: 1.6
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]+	213.034666	140.3
[M+Na]+	235.016608	147.9
[M-H]-	211.020114	144.6
[M+NH4]+	230.061213	159.3
[M+K]+	250.990548	146.1
[M+H-H2O]+	195.024650	136.5
[M+HCOO]-	257.025591	150.2
[M+CH3COO]-	271.041241	180.0
[M+Na-2H]-	233.002056	144.2
[M]+	212.02684142	142.6
[M]-	212.02793858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.