CID 3781579

28073-51-0

Structural Information

Molecular Formula

C₉H₁₀ClNO₃S

SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H10ClNO3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)

InChIKey

WRGHKTBZVWARIA-UHFFFAOYSA-N

Compound name

4-(acetamidomethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 247.00699 Da
Monoisotopic Mass: 1.1
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]+	248.01427	151.5
[M+Na]+	269.99621	162.6
[M+NH4]+	265.04081	158.8
[M+K]+	285.97015	155.5
[M-H]-	245.99971	152.2
[M+Na-2H]-	267.98166	156.7
[M]+	247.00644	153.9
[M]-	247.00754	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe