CID 55280795

Refchem:546586

Structural Information

Molecular Formula

C₇H₁₅ClO₃S

SMILES

C(CCCO)CCCS(=O)(=O)Cl

InChI

InChI=1S/C7H15ClO3S/c8-12(10,11)7-5-3-1-2-4-6-9/h9H,1-7H2

InChIKey

PKPLORYIQYWITL-UHFFFAOYSA-N

Compound name

7-hydroxyheptane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.04305 Da
Monoisotopic Mass: 1.7
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]+	215.050326	143.5
[M+Na]+	237.032268	151.1
[M-H]-	213.035774	142.5
[M+NH4]+	232.076873	162.9
[M+K]+	253.006208	147.1
[M+H-H2O]+	197.040310	140.0
[M+HCOO]-	259.041251	155.1
[M+CH3COO]-	273.056901	179.8
[M+Na-2H]-	235.017716	146.4
[M]+	214.04250142	149.3
[M]-	214.04359858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.