CID 801723

505071-92-1

Structural Information

Molecular Formula

C₁₀H₉ClO₄S

SMILES

C1CC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H9ClO4S/c11-7-1-3-8(4-2-7)16(14,15)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)

InChIKey

GAABDRSLTXUNQW-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 259.991 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]+	260.99828	157.8
[M+Na]+	282.98022	170.8
[M+NH4]+	278.02482	167.0
[M+K]+	298.95416	163.7
[M-H]-	258.98372	165.6
[M+Na-2H]-	280.96567	167.2
[M]+	259.99045	163.8
[M]-	259.99155	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe