CID 2756259

680618-19-3

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₄S

SMILES

CCOC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)Cl

InChI

InChI=1S/C10H12ClNO4S/c1-3-16-9-5-4-8(12-7(2)13)6-10(9)17(11,14)15/h4-6H,3H2,1-2H3,(H,12,13)

InChIKey

QABZOPQRRCWJGL-UHFFFAOYSA-N

Compound name

5-acetamido-2-ethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 277.01755 Da
Monoisotopic Mass: 1.5
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]+	278.02483	155.4
[M+Na]+	300.00677	164.4
[M-H]-	276.01027	159.8
[M+NH4]+	295.05137	172.8
[M+K]+	315.98071	160.5
[M+H-H2O]+	260.01481	150.5
[M+HCOO]-	322.01575	169.6
[M+CH3COO]-	336.03140	195.3
[M+Na-2H]-	297.99222	158.5
[M]+	277.01700	162.2
[M]-	277.01810	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe