CID 75481023

1208075-87-9

Structural Information

Molecular Formula

C₉H₉ClO₃S

SMILES

C1CC1OC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H9ClO3S/c10-14(11,12)9-5-3-8(4-6-9)13-7-1-2-7/h3-7H,1-2H2

InChIKey

QGAAZWFQNDVAFB-UHFFFAOYSA-N

Compound name

4-cyclopropyloxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.9961 Da
Monoisotopic Mass: 2.5
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]+	233.003376	140.3
[M+Na]+	254.985318	151.3
[M-H]-	230.988824	148.3
[M+NH4]+	250.029923	154.9
[M+K]+	270.959258	146.9
[M+H-H2O]+	214.993360	135.0
[M+HCOO]-	276.994301	155.3
[M+CH3COO]-	291.009951	186.6
[M+Na-2H]-	252.970766	145.6
[M]+	231.99555142	147.8
[M]-	231.99664858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe