CID 77351

3746-67-6

Structural Information

Molecular Formula

C₉H₁₀ClNO₄S

SMILES

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

InChI

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

InChIKey

KRKMAUKQDRAOFI-UHFFFAOYSA-N

Compound name

3-acetamido-4-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 90
Patents: 263.0019 Da
Monoisotopic Mass: 1.4
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]+	264.00918	154.4
[M+Na]+	285.99112	165.4
[M+NH4]+	281.03572	161.1
[M+K]+	301.96506	159.1
[M-H]-	261.99462	154.6
[M+Na-2H]-	283.97657	159.0
[M]+	263.00135	156.6
[M]-	263.00245	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe