CID 59996026

4-methoxycyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₃ClO₃S

SMILES

COC1CCC(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C7H13ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h6-7H,2-5H2,1H3

InChIKey

QHQFCIVYXHOXSN-UHFFFAOYSA-N

Compound name

4-methoxycyclohexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.02739 Da
Monoisotopic Mass: 1.6
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]+	213.03467	142.3
[M+Na]+	235.01661	152.6
[M+NH4]+	230.06121	150.6
[M+K]+	250.99055	145.6
[M-H]-	211.02011	142.7
[M+Na-2H]-	233.00206	146.1
[M]+	212.02684	144.5
[M]-	212.02794	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe