CID 11593516

2-methylpropyl chloranesulfonate

Structural Information

Molecular Formula

C₄H₉ClO₃S

SMILES

CC(C)COS(=O)(=O)Cl

InChI

InChI=1S/C4H9ClO3S/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3

InChIKey

BOFYOIRTGSUKQX-UHFFFAOYSA-N

Compound name

1-chlorosulfonyloxy-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 171.9961 Da
Monoisotopic Mass: 1.8
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]+	173.00338	129.0
[M+Na]+	194.98532	138.1
[M-H]-	170.98882	130.2
[M+NH4]+	190.02992	150.8
[M+K]+	210.95926	136.3
[M+H-H2O]+	154.99336	126.0
[M+HCOO]-	216.99430	142.1
[M+CH3COO]-	231.00995	174.3
[M+Na-2H]-	192.97077	132.8
[M]+	171.99555	135.1
[M]-	171.99665	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe