CID 61545574

1-acetylpiperidine-4-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₂ClNO₃S

SMILES

CC(=O)N1CCC(CC1)S(=O)(=O)Cl

InChI

InChI=1S/C7H12ClNO3S/c1-6(10)9-4-2-7(3-5-9)13(8,11)12/h7H,2-5H2,1H3

InChIKey

HACWCCZWXGOJJD-UHFFFAOYSA-N

Compound name

1-acetylpiperidine-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 225.02264 Da
Monoisotopic Mass: 0.4
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]+	226.02992	146.0
[M+Na]+	248.01186	155.8
[M+NH4]+	243.05646	153.1
[M+K]+	263.98580	149.7
[M-H]-	224.01536	145.1
[M+Na-2H]-	245.99731	148.9
[M]+	225.02209	147.6
[M]-	225.02319	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe