CID 71494005

1303510-68-0

Structural Information

Molecular Formula

C₁₁H₁₃ClO₃S

SMILES

C1CC1(COCC2=CC=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C11H13ClO3S/c12-16(13,14)11(6-7-11)9-15-8-10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

PIJBRIKYXKXSSU-UHFFFAOYSA-N

Compound name

1-(phenylmethoxymethyl)cyclopropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 260.0274 Da
Monoisotopic Mass: 2.1
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]+	261.03468	149.7
[M+Na]+	283.01662	159.5
[M-H]-	259.02012	157.2
[M+NH4]+	278.06122	164.7
[M+K]+	298.99056	155.8
[M+H-H2O]+	243.02466	144.9
[M+HCOO]-	305.02560	163.7
[M+CH3COO]-	319.04125	190.8
[M+Na-2H]-	281.00207	155.9
[M]+	260.02685	157.9
[M]-	260.02795	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe