CID 55279200

2,2-dimethylpropyl chloranesulfonate

Structural Information

Molecular Formula

C₅H₁₁ClO₃S

SMILES

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

InChI

InChI=1S/C5H11ClO3S/c1-5(2,3)4-9-10(6,7)8/h4H2,1-3H3

InChIKey

FOMUQBCOZUHIAR-UHFFFAOYSA-N

Compound name

1-chlorosulfonyloxy-2,2-dimethylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 186.01175 Da
Monoisotopic Mass: 2.2
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	134.5
[M+Na]+	209.000968	143.9
[M-H]-	185.004474	135.8
[M+NH4]+	204.045573	156.0
[M+K]+	224.974908	141.8
[M+H-H2O]+	169.009010	131.8
[M+HCOO]-	231.009951	146.8
[M+CH3COO]-	245.025601	176.2
[M+Na-2H]-	206.986416	139.8
[M]+	186.01120142	140.9
[M]-	186.01229858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe