CID 20225506

Cycloheptanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₂S

SMILES

C1CCCC(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO2S/c8-11(9,10)7-5-3-1-2-4-6-7/h7H,1-6H2

InChIKey

WBIOWMBUZYUUIQ-UHFFFAOYSA-N

Compound name

cycloheptanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 196.03249 Da
Monoisotopic Mass: 2.7
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]+	197.03977	138.2
[M+Na]+	219.02171	146.7
[M+NH4]+	214.06631	146.2
[M+K]+	234.99565	141.1
[M-H]-	195.02521	138.9
[M+Na-2H]-	217.00716	142.6
[M]+	196.03194	140.2
[M]-	196.03304	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe