CID 12794401

Adamantane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₅ClO₂S

SMILES

C1C2CC3CC1CC(C2)(C3)S(=O)(=O)Cl

InChI

InChI=1S/C10H15ClO2S/c11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChIKey

LLZYXOXYBQDLIC-UHFFFAOYSA-N

Compound name

adamantane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 234.04813 Da
Monoisotopic Mass: 3.1
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]+	235.05541	151.7
[M+Na]+	257.03735	156.2
[M-H]-	233.04085	147.2
[M+NH4]+	252.08195	177.8
[M+K]+	273.01129	153.0
[M+H-H2O]+	217.04539	149.0
[M+HCOO]-	279.04633	150.0
[M+CH3COO]-	293.06198	160.9
[M+Na-2H]-	255.02280	163.6
[M]+	234.04758	156.7
[M]-	234.04868	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe