CID 54355339

5-methyl-2-(propan-2-yl)cyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₉ClO₂S

SMILES

CC1CCC(C(C1)S(=O)(=O)Cl)C(C)C

InChI

InChI=1S/C10H19ClO2S/c1-7(2)9-5-4-8(3)6-10(9)14(11,12)13/h7-10H,4-6H2,1-3H3

InChIKey

UISNFRGVVCUVAH-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.07942 Da
Monoisotopic Mass: 3.9
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]+	239.086696	149.3
[M+Na]+	261.068638	156.2
[M-H]-	237.072144	152.8
[M+NH4]+	256.113243	168.7
[M+K]+	277.042578	152.7
[M+H-H2O]+	221.076680	145.5
[M+HCOO]-	283.077621	157.6
[M+CH3COO]-	297.093271	189.0
[M+Na-2H]-	259.054086	149.0
[M]+	238.07887142	150.6
[M]-	238.07996858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe