CID 79866

5804-73-9

Structural Information

Molecular Formula

C₉H₁₀ClNO₄S

SMILES

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)Cl

InChI

InChI=1S/C9H10ClNO4S/c1-6(12)11-7-3-4-8(15-2)9(5-7)16(10,13)14/h3-5H,1-2H3,(H,11,12)

InChIKey

VWKRNDWDKNOMAD-UHFFFAOYSA-N

Compound name

5-acetamido-2-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 263.0019 Da
Monoisotopic Mass: 1.2
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]+	264.009176	150.9
[M+Na]+	285.991118	160.3
[M-H]-	261.994624	155.5
[M+NH4]+	281.035723	168.9
[M+K]+	301.965058	156.7
[M+H-H2O]+	245.999160	146.2
[M+HCOO]-	308.000101	165.4
[M+CH3COO]-	322.015751	192.3
[M+Na-2H]-	283.976566	154.5
[M]+	263.00135142	157.3
[M]-	263.00244858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe