CID 98511807

2022628-68-6

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂S

SMILES

CC1=CC=C(C=C1)[C@@H]2C[C@H]2S(=O)(=O)Cl

InChI

InChI=1S/C10H11ClO2S/c1-7-2-4-8(5-3-7)9-6-10(9)14(11,12)13/h2-5,9-10H,6H2,1H3/t9-,10+/m0/s1

InChIKey

TYDXXNLHVFTEML-VHSXEESVSA-N

Compound name

trans-(1R,2S)-2-(4-methylphenyl)cyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.01683 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]+	231.024106	140.0
[M+Na]+	253.006048	151.4
[M-H]-	229.009554	148.1
[M+NH4]+	248.050653	154.9
[M+K]+	268.979988	146.4
[M+H-H2O]+	213.014090	134.8
[M+HCOO]-	275.015031	154.3
[M+CH3COO]-	289.030681	188.6
[M+Na-2H]-	250.991496	144.0
[M]+	230.01628142	146.8
[M]-	230.01737858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.