CID 14574338

2-propylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₁₁ClO₂S

SMILES

CCCC1=CC=CC=C1S(=O)(=O)Cl

InChI

InChI=1S/C9H11ClO2S/c1-2-5-8-6-3-4-7-9(8)13(10,11)12/h3-4,6-7H,2,5H2,1H3

InChIKey

NAURBQKSUZFYQT-UHFFFAOYSA-N

Compound name

2-propylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 218.01683 Da
Monoisotopic Mass: 3.3
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]+	219.02411	145.2
[M+Na]+	241.00605	158.5
[M+NH4]+	236.05065	154.1
[M+K]+	256.97999	149.7
[M-H]-	217.00955	146.7
[M+Na-2H]-	238.99150	151.5
[M]+	218.01628	148.4
[M]-	218.01738	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe