CID 146050041

2413900-57-7

Structural Information

Molecular Formula

C₇H₉ClO₂S

SMILES

C1C2CC3C1C3C2S(=O)(=O)Cl

InChI

InChI=1S/C7H9ClO2S/c8-11(9,10)7-3-1-4-5(2-3)6(4)7/h3-7H,1-2H2

InChIKey

YWFJXMGZDQCYTB-UHFFFAOYSA-N

Compound name

tricyclo[2.2.1.02,6]heptane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.00117 Da
Monoisotopic Mass: 1.5
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]+	193.00845	134.9
[M+Na]+	214.99039	144.8
[M+NH4]+	210.03499	146.3
[M+K]+	230.96433	143.9
[M-H]-	190.99389	139.4
[M+Na-2H]-	212.97584	135.2
[M]+	192.00062	139.3
[M]-	192.00172	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.