CID 55279574

958651-12-2

Structural Information

Molecular Formula

C₉H₉ClO₂S

SMILES

C1CC1C2=CC(=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H9ClO2S/c10-13(11,12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2

InChIKey

SOBFLTOURJYMBV-UHFFFAOYSA-N

Compound name

3-cyclopropylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 216.00117 Da
Monoisotopic Mass: 2.9
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]+	217.00845	146.9
[M+Na]+	238.99039	161.6
[M+NH4]+	234.03499	156.6
[M+K]+	254.96433	154.4
[M-H]-	214.99389	156.4
[M+Na-2H]-	236.97584	156.5
[M]+	216.00062	153.6
[M]-	216.00172	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe