CID 112838

62374-67-8

Structural Information

Molecular Formula

C₉H₁₀ClNO₃S

SMILES

CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)Cl

InChI

InChI=1S/C9H10ClNO3S/c1-6-5-8(11-7(2)12)3-4-9(6)15(10,13)14/h3-5H,1-2H3,(H,11,12)

InChIKey

CQMOYSYLLYARBD-UHFFFAOYSA-N

Compound name

4-acetamido-2-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 63
Patents: 247.00699 Da
Monoisotopic Mass: 2.1
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	148.0
[M+Na]+	269.99621	157.7
[M-H]-	245.99971	152.7
[M+NH4]+	265.04081	166.8
[M+K]+	285.97015	153.5
[M+H-H2O]+	230.00425	143.6
[M+HCOO]-	292.00519	162.3
[M+CH3COO]-	306.02084	190.2
[M+Na-2H]-	267.98166	151.4
[M]+	247.00644	153.0
[M]-	247.00754	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe